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

C24H17Cl2NO2 — CID 68588391

IUPAC2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid
SMILESCc1cc2nc(-c3ccc(Cl)cc3)ccc2c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C24H17Cl2NO2/c1-14-12-22-19(10-11-21(27-22)15-2-6-17(25)7-3-15)24(20(14)13-23(28)29)16-4-8-18(26)9-5-16/h2-12H,13H2,1H3,(H,28,29)
InChIKeyDQVBDFCPZSUYNI-UHFFFAOYSA-N
MW422.31 g/mol
LogP6.81
Rot. Bonds4

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

2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid (PubChem CID 68588391) has the molecular formula C24H17Cl2NO2 and a molecular weight of 422.31 g/mol. Its IUPAC name is 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid
PubChem CID68588391
Molecular FormulaC24H17Cl2NO2
Molecular Weight422.31 g/mol
Exact Mass421.06
IUPAC Name2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid
SMILESCc1cc2nc(-c3ccc(Cl)cc3)ccc2c(-c2ccc(Cl)cc2)c1CC(=O)O
InChIInChI=1S/C24H17Cl2NO2/c1-14-12-22-19(10-11-21(27-22)15-2-6-17(25)7-3-15)24(20(14)13-23(28)29)16-4-8-18(26)9-5-16/h2-12H,13H2,1H3,(H,28,29)
InChIKeyDQVBDFCPZSUYNI-UHFFFAOYSA-N
XLogP6.81
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.31
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[7-chloro-5-(4-chlorophenyl)-2-methylquinolin-6-yl]acetic acid
CID 134390966
2-[2-[4-(4-bromophenyl)phenyl]-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289854
2-(4-chlorophenyl)-6,7-dimethylquinoline-4-carboxylic acid
CID 18073531
2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 66631066
2-[7-(4-chlorophenyl)-2-[3-(dimethylamino)-1-methylindazol-6-yl]-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289944
2-[7-(4-chlorophenyl)-2-(1,2-dimethyl-3-oxoindazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289910
2-[7-(4-chlorophenyl)-2-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289688
2-[7-(4-chlorophenyl)-2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-5-methyl-1,3-benzothiazol-6-yl]acetic acid
CID 134289924
2-[7-(4-chlorophenyl)-5-methyl-2-(1-oxo-2,3-dihydroisoindol-5-yl)-1,3-benzothiazol-6-yl]acetic acid
CID 150238891
2-[1-(4-chlorophenyl)-7-(3-hydroxy-3-phenylbut-1-ynyl)-3-methylnaphthalen-2-yl]acetic acid
CID 152648391
2-[1-(4-chlorophenyl)-7-[2-(1-hydroxycyclohexyl)ethynyl]-3-methylnaphthalen-2-yl]acetic acid
CID 67126190
2-[5-(4-chlorophenyl)-2-(hydroxymethyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66631533

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid?
The IUPAC name of 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid (CID 68588391) is 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid?
The canonical SMILES for 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid is Cc1cc2nc(-c3ccc(Cl)cc3)ccc2c(-c2ccc(Cl)cc2)c1CC(=O)O.
What is the InChIKey of 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid?
The InChIKey is DQVBDFCPZSUYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO2/c1-14-12-22-19(10-11-21(27-22)15-2-6-17(25)7-3-15)24(20(14)13-23(28)29)16-4-8-18(26)9-5-16/h2-12H,13H2,1H3,(H,28,29).
What are the key properties of 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid?
2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid has a molecular weight of 422.31 g/mol, XLogP of 6.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(4-chlorophenyl)-7-methylquinolin-6-yl]acetic acid is sourced from PubChem (CID 68588391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).