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

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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).