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ZINC03254726,,, :Molecular Weight338.42346 [g/mol]Molecular FormulaC

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摘 要:ZINC03254726,,, :Molecular Weight338.42346 [g/mol]Molecular FormulaC20H24N3O2+H-Bond Donor2H-Bond Acceptor3Rotatable Bond Count7Tautomer Count2Exact Mass338.186852MonoIsotopic Mass338.186852Topological Polar Surface Area59.6Heavy Atom Count25Formal
[Synonyms]
ZINC03254726


Properties Computed from Structure:Molecular Weight338.42346 [g/mol]Molecular FormulaC20H24N3O2+H-Bond Donor2H-Bond Acceptor3Rotatable Bond Count7Tautomer Count2Exact Mass338.186852MonoIsotopic Mass338.186852Topological Polar Surface Area59.6Heavy Atom Count25Formal Charge1Complexity427Isotope Atom Count0Defined Atom StereoCenter Count0Undefined Atom StereoCenter Count0Defined Bond StereoCenter Count0Undefined Bond StereoCenter Count0Covalently-Bonded Unit Count1

Descriptors Computed from Structure:IUPAC Name: diethyl-[2-[(2-furan-2-ylquinoline-4-carbonyl)amino]ethyl]azanium
Canonical SMILES: CC[NH+](CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3
InChI: InChI=1/C20H23N3O2/c1-3-23(4-2)12-11-21-20(24)16-14-18(19-10-7-13-25-19)
22-17-9-6-5-8-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,
24)/p+1/fC20H24N3O2/h21,23H/q+1


Compound Info:CID: 2371440  Create Date: 2005-07-15Parent CID: 2371441

Similar Compounds: 1022 Links


Substance Info:Substances: 2 Links

Category: [for same structure substances]Substance Vendors: 2 Links
   ChemSpider ( 1 )
SID: 30454006 - External ID: 1771500
   ZINC ( 1 )
SID: 2786164 - External ID: ZINC03254726

Theoretical Properties: 1 Link
   ZINC ( 1 )
SID: 2786164 - External ID: ZINC03254726

ASN1DisplaySaveXMLDisplaySaveSDFDisplaySave Compound ID2371440Molecular Weight338.42346 [g/mol]Molecular FormulaC20H24N3O2+H-Bond Donor2H-Bond Acceptor3  Links
Chemical Structure Search

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[Structure]
ZINC03254726,,,   :Molecular Weight338.42346 [g/mol]Molecular FormulaC

[ Properties Computed from Structure]
Molecular Weight338.42346 [g/mol]
Molecular FormulaC20H24N3O2+
H-Bond Donor2
H-Bond Acceptor3
Rotatable Bond Count7
Tautomer Count2
Exact Mass338.186852
MonoIsotopic Mass338.186852
Topological Polar Surface Area59.6
Heavy Atom Count25
Formal Charge1
Complexity427
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: diethyl-[2-[(2-furan-2-ylquinoline-4-carbonyl)amino]ethyl]azanium
Canonical SMILES: CC[NH+](CC)CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3
InChI: InChI=1/C20H23N3O2/c1-3-23(4-2)12-11-21-20(24)16-14-18(19-10-7-13-25-19)
22-17-9-6-5-8-15(16)17/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,21,
24)/p+1/fC20H24N3O2/h21,23H/q+1

 
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