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以后职位: 2分快3 » 质料 » 化学物质数据库 » Oprea1_207523,Oprea1_472648,ASN 01280046,2-(2,4-Dimethyl-phenyl)-quino

Oprea1_207523,Oprea1_472648,ASN 01280046,2-(2,4-Dimethyl-phenyl)-quino

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摘 要:Oprea1_207523,Oprea1_472648,ASN 01280046,2-(2,4-Dimethyl-phenyl)-quinoline-4-carboxylic acid (3-iodo-phenyl)-amide, 2-(2,4-dimethylphenyl)-N-(3-iodophenyl)quinoline-4-carboxamide,Canonical SMILES: CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C
[Synonyms]
Oprea1_207523
Oprea1_472648
ASN 01280046
2-(2,4-Dimethyl-phenyl)-quinoline-4-carboxylic acid (3-iodo-phenyl)-amide

[Structure]
Oprea1_207523,Oprea1_472648,ASN 01280046,2-(2,4-Dimethyl-phenyl)-quino

[ Properties Computed from Structure]
Molecular Weight478.32493 [g/mol]
Molecular FormulaC24H19IN2O
XLogP7.1
H-Bond Donor1
H-Bond Acceptor2
Rotatable Bond Count3
Tautomer Count2
Exact Mass478.054206
MonoIsotopic Mass478.054206
Topological Polar Surface Area42
Heavy Atom Count28
Formal Charge0
Complexity541
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: 2-(2,4-dimethylphenyl)-N-(3-iodophenyl)quinoline-4-carboxamide
Canonical SMILES: CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC=C4)I)C
InChI: InChI=1/C24H19IN2O/c1-15-10-11-19(16(2)12-15)23-14-21(20-8-3-4-9-22(20)
27-23)24(28)26-18-7-5-6-17(25)13-18/h3-14H,1-2H3,(H,26,28)/f/h26H

 
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