2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid

C18H13Cl2NO2 — CID 134390966

IUPAC2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid
SMILESCc1ccc2c(-c3ccc(Cl)cc3)c(CC(=O)O)c(Cl)cc2n1
InChIInChI=1S/C18H13Cl2NO2/c1-10-2-7-13-16(21-10)9-15(20)14(8-17(22)23)18(13)11-3-5-12(19)6-4-11/h2-7,9H,8H2,1H3,(H,22,23)
InChIKeyNLTOZFNBAYAMOB-UHFFFAOYSA-N
MW346.21 g/mol
LogP5.14
Rot. Bonds3

About 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid

2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid (PubChem CID 134390966) has the molecular formula C18H13Cl2NO2 and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid
PubChem CID134390966
Molecular FormulaC18H13Cl2NO2
Molecular Weight346.21 g/mol
Exact Mass345.03
IUPAC Name2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid
SMILESCc1ccc2c(-c3ccc(Cl)cc3)c(CC(=O)O)c(Cl)cc2n1
InChIInChI=1S/C18H13Cl2NO2/c1-10-2-7-13-16(21-10)9-15(20)14(8-17(22)23)18(13)11-3-5-12(19)6-4-11/h2-7,9H,8H2,1H3,(H,22,23)
InChIKeyNLTOZFNBAYAMOB-UHFFFAOYSA-N
XLogP5.14
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.21
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid
CID 68588391
[(2S)-2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]-2-hydroxyethyl] 2,2-dimethylpropanoate
CID 86691973
[2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
CID 66631576
2-[1-(4-chlorophenyl)-3-(methoxymethyl)naphthalen-2-yl]acetic acid
CID 129163524
2-[4-(4-chlorophenyl)-1-[(3,4-difluorophenyl)methyl]-6-methylpyrrolo[2,3-b]pyridin-5-yl]acetic acid
CID 126659575
2-[9-(4-chlorophenyl)-3-fluoro-7,10-dimethyl-5-oxo-6H-benzo[h][1,6]naphthyridin-8-yl]acetic acid
CID 146207936
[(2S)-2-[5-(4-chlorophenyl)-2,7-dimethylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethyl] 2,2-dimethylpropanoate
CID 66631480
3-(carboxymethyl)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
CID 4068247
2-[2-[4-(4-bromophenyl)phenyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289854
2-[7-(4-chlorophenyl)-2-[3-(dimethylamino)-1-methylindazol-6-yl]-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289944
2-[5-(4-chlorophenyl)-2,7,9-trimethyl-1,9-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-yl]acetic acid
CID 134407340
2-(6,8-dichloro-2-methylquinolin-4-yl)acetic acid
CID 82449379

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid?
The IUPAC name of 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid (CID 134390966) is 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid?
The canonical SMILES for 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid is Cc1ccc2c(-c3ccc(Cl)cc3)c(CC(=O)O)c(Cl)cc2n1.
What is the InChIKey of 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid?
The InChIKey is NLTOZFNBAYAMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO2/c1-10-2-7-13-16(21-10)9-15(20)14(8-17(22)23)18(13)11-3-5-12(19)6-4-11/h2-7,9H,8H2,1H3,(H,22,23).
What are the key properties of 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid?
2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid has a molecular weight of 346.21 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid is sourced from PubChem (CID 134390966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).