2-(4-chloro-8-methylquinolin-3-yl)acetic acid

C12H10ClNO2 — CID 84699093

IUPAC2-(4-chloro-8-methylquinolin-3-yl)acetic acid
SMILESCc1cccc2c(Cl)c(CC(=O)O)cnc12
InChIInChI=1S/C12H10ClNO2/c1-7-3-2-4-9-11(13)8(5-10(15)16)6-14-12(7)9/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyFDCDCASZNCVMEN-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.82
Rot. Bonds2

About 2-(4-chloro-8-methylquinolin-3-yl)acetic acid

2-(4-chloro-8-methylquinolin-3-yl)acetic acid (PubChem CID 84699093) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(4-chloro-8-methylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-8-methylquinolin-3-yl)acetic acid
PubChem CID84699093
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name2-(4-chloro-8-methylquinolin-3-yl)acetic acid
SMILESCc1cccc2c(Cl)c(CC(=O)O)cnc12
InChIInChI=1S/C12H10ClNO2/c1-7-3-2-4-9-11(13)8(5-10(15)16)6-14-12(7)9/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyFDCDCASZNCVMEN-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

2-(2,8-dimethylquinazolin-4-yl)acetic acid
CID 105469517
2-(4-chloro-6-methylquinolin-3-yl)acetic acid
CID 84699091
2-(2,8-dimethylquinolin-4-yl)acetic acid
CID 82447836
4-chloro-8-methylquinoline-2,3-dicarboxylic acid
CID 141332367
8-methylquinazoline-4-carboxylic acid
CID 124706584
2-(8-chloroquinazolin-4-yl)acetic acid
CID 105479928
ethyl 4,8-dichloroquinoline-3-carboxylate
CID 728974
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
2-[[3-[(3,8-dimethylquinolin-4-yl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122061794
2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde
CID 87427540
2-(2-methylphenyl)acetic acid
CID 67440217
2-[6-(2,3-dimethylphenyl)-3-pyridinyl]acetic acid
CID 117001562

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-8-methylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(4-chloro-8-methylquinolin-3-yl)acetic acid (CID 84699093) is 2-(4-chloro-8-methylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-8-methylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-8-methylquinolin-3-yl)acetic acid is Cc1cccc2c(Cl)c(CC(=O)O)cnc12.
What is the InChIKey of 2-(4-chloro-8-methylquinolin-3-yl)acetic acid?
The InChIKey is FDCDCASZNCVMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-3-2-4-9-11(13)8(5-10(15)16)6-14-12(7)9/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 2-(4-chloro-8-methylquinolin-3-yl)acetic acid?
2-(4-chloro-8-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-8-methylquinolin-3-yl)acetic acid is sourced from PubChem (CID 84699093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).