2-(4-chloro-6-methylquinolin-3-yl)acetic acid

C12H10ClNO2 — CID 84699091

IUPAC2-(4-chloro-6-methylquinolin-3-yl)acetic acid
SMILESCc1ccc2ncc(CC(=O)O)c(Cl)c2c1
InChIInChI=1S/C12H10ClNO2/c1-7-2-3-10-9(4-7)12(13)8(6-14-10)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyQTDGHKSHSRPXAA-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.82
Rot. Bonds2

About 2-(4-chloro-6-methylquinolin-3-yl)acetic acid

2-(4-chloro-6-methylquinolin-3-yl)acetic acid (PubChem CID 84699091) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(4-chloro-6-methylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-6-methylquinolin-3-yl)acetic acid
PubChem CID84699091
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name2-(4-chloro-6-methylquinolin-3-yl)acetic acid
SMILESCc1ccc2ncc(CC(=O)O)c(Cl)c2c1
InChIInChI=1S/C12H10ClNO2/c1-7-2-3-10-9(4-7)12(13)8(6-14-10)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyQTDGHKSHSRPXAA-UHFFFAOYSA-N
XLogP2.82
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-3-(2-chloroethyl)-6-methylquinoline
CID 817864
sodium 4-chloro-6-methylquinoline-3-carboxylate
CID 23678977
2-(4-chloro-8-methylquinolin-3-yl)acetic acid
CID 84699093
propan-2-yl 2-(4,6-dimethylquinolin-3-yl)acetate
CID 160727618
2-(5-methyl-2,1-benzoxazol-3-yl)acetic acid
CID 105444721
6-chloro-1-(4-chloro-6-methoxyquinolin-3-yl)hexan-2-one
CID 176655507
4-chloro-3-(3,4-dichlorophenyl)sulfonyl-6-methylquinoline
CID 71823834
3-(aminomethyl)-4-chloroquinolin-6-ol
CID 115026165
ethyl 2,4-dichloro-6-methylquinoline-3-carboxylate
CID 21050828
2-(4-methoxy-6-methylquinazolin-2-yl)acetic acid
CID 84795271
3,4-dichloro-2,6-dimethylquinoline
CID 54483448
2-[methyl-(6-methylquinolin-4-yl)amino]acetic acid
CID 83840395

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-6-methylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(4-chloro-6-methylquinolin-3-yl)acetic acid (CID 84699091) is 2-(4-chloro-6-methylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-6-methylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-6-methylquinolin-3-yl)acetic acid is Cc1ccc2ncc(CC(=O)O)c(Cl)c2c1.
What is the InChIKey of 2-(4-chloro-6-methylquinolin-3-yl)acetic acid?
The InChIKey is QTDGHKSHSRPXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-2-3-10-9(4-7)12(13)8(6-14-10)5-11(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2-(4-chloro-6-methylquinolin-3-yl)acetic acid?
2-(4-chloro-6-methylquinolin-3-yl)acetic acid has a molecular weight of 235.67 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-6-methylquinolin-3-yl)acetic acid is sourced from PubChem (CID 84699091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).