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6-methyl-2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylic,

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摘 要: 6-methyl-2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylic,acid,Canonical SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=C(C=C4)C(C)C,InChI: InChI=1/C24H21NO3/c1-14(2)16-5-7-17(8-6-16)22-10-11-23(28-22)21-13-19(24,(26)27)18-12-15(3
[Synonyms]

[Structure]
 6-methyl-2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylic,

[ Properties Computed from Structure]
Molecular Weight371.42844 [g/mol]
Molecular FormulaC24H21NO3
XLogP6.3
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Exact Mass371.152144
MonoIsotopic Mass371.152144
Topological Polar Surface Area63.3
Heavy Atom Count28
Formal Charge0
Complexity542
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-methyl-2-[5-(4-propan-2-ylphenyl)furan-2-yl]quinoline-4-carboxylic
acid
Canonical SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC=C(O3)C4=CC=C(C=C4)C(C)C
InChI: InChI=1/C24H21NO3/c1-14(2)16-5-7-17(8-6-16)22-10-11-23(28-22)21-13-19(24
(26)27)18-12-15(3)4-9-20(18)25-21/h4-14H,1-3H3,(H,26,27)/f/h26H

 
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