2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid

C26H21ClN2O4 — CID 110165696

IUPAC2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
SMILESCOc1ccc(-c2cc(C(=O)N(CC(=O)O)Cc3ccccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C26H21ClN2O4/c1-33-19-12-10-17(11-13-19)24-14-21(20-7-3-5-9-23(20)28-24)26(32)29(16-25(30)31)15-18-6-2-4-8-22(18)27/h2-14H,15-16H2,1H3,(H,30,31)
InChIKeyODHMSJQUDVULMP-UHFFFAOYSA-N
MW460.92 g/mol
LogP5.29
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid

2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid (PubChem CID 110165696) has the molecular formula C26H21ClN2O4 and a molecular weight of 460.92 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
PubChem CID110165696
Molecular FormulaC26H21ClN2O4
Molecular Weight460.92 g/mol
Exact Mass460.12
IUPAC Name2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
SMILESCOc1ccc(-c2cc(C(=O)N(CC(=O)O)Cc3ccccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C26H21ClN2O4/c1-33-19-12-10-17(11-13-19)24-14-21(20-7-3-5-9-23(20)28-24)26(32)29(16-25(30)31)15-18-6-2-4-8-22(18)27/h2-14H,15-16H2,1H3,(H,30,31)
InChIKeyODHMSJQUDVULMP-UHFFFAOYSA-N
XLogP5.29
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.92
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]-(2-phenylethyl)amino]acetic acid
CID 110077127
2-[2-(4-chlorophenyl)ethyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid
CID 110077137
N-ethyl-N-(2-hydroxyethyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 78796165
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide
CID 119654264
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-(3-amino-2,2-dimethylpropyl)-2-(4-methoxyphenyl)-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654263
[2-(dibenzylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 23988368
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696
(2-chloro-6-fluorophenyl)methyl 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 2433435
2-(4-methoxyphenyl)-N-[[3-[[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5101494
N-(2-cyanoethyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
CID 78800017

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid (CID 110165696) is 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid is COc1ccc(-c2cc(C(=O)N(CC(=O)O)Cc3ccccc3Cl)c3ccccc3n2)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid?
The InChIKey is ODHMSJQUDVULMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN2O4/c1-33-19-12-10-17(11-13-19)24-14-21(20-7-3-5-9-23(20)28-24)26(32)29(16-25(30)31)15-18-6-2-4-8-22(18)27/h2-14H,15-16H2,1H3,(H,30,31).
What are the key properties of 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid?
2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid has a molecular weight of 460.92 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 110165696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).