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ZINC00920370,ASN 04267184,(6,8-Dimethyl-2-thiophen-2-yl-quinolin-4-yl)

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摘 要:ZINC00920370,ASN 04267184,(6,8-Dimethyl-2-thiophen-2-yl-quinolin-4-yl)-morpholin-4-yl-methanone, (6,8-dimethyl-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone,Canonical SMILES: CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCOCC4)C,InChI: InChI=1/
[Synonyms]
ZINC00920370
ASN 04267184
(6,8-Dimethyl-2-thiophen-2-yl-quinolin-4-yl)-morpholin-4-yl-methanone

[Structure]
ZINC00920370,ASN 04267184,(6,8-Dimethyl-2-thiophen-2-yl-quinolin-4-yl)

[ Properties Computed from Structure]
Molecular Weight352.45 [g/mol]
Molecular FormulaC20H20N2O2S
XLogP3
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count2
Exact Mass352.124549
MonoIsotopic Mass352.124549
Topological Polar Surface Area42.4
Heavy Atom Count25
Formal Charge0
Complexity482
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: (6,8-dimethyl-2-thiophen-2-ylquinolin-4-yl)-morpholin-4-ylmethanone
Canonical SMILES: CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)N4CCOCC4)C
InChI: InChI=1/C20H20N2O2S/c1-13-10-14(2)19-15(11-13)16(20(23)22-5-7-24-8-6-22)
12-17(21-19)18-4-3-9-25-18/h3-4,9-12H,5-8H2,1-2H3

 
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