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

C12H10ClNO2 — CID 164563362

IUPAC2-(8-chloro-2-methylquinolin-3-yl)acetic acid
SMILESCc1nc2c(Cl)cccc2cc1CC(=O)O
InChIInChI=1S/C12H10ClNO2/c1-7-9(6-11(15)16)5-8-3-2-4-10(13)12(8)14-7/h2-5H,6H2,1H3,(H,15,16)
InChIKeyFZLQSJNIFXGAGS-UHFFFAOYSA-N
MW235.67 g/mol
LogP2.82
Rot. Bonds2

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

2-(8-chloro-2-methylquinolin-3-yl)acetic acid (PubChem CID 164563362) has the molecular formula C12H10ClNO2 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-(8-chloro-2-methylquinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(8-chloro-2-methylquinolin-3-yl)acetic acid
PubChem CID164563362
Molecular FormulaC12H10ClNO2
Molecular Weight235.67 g/mol
Exact Mass235.04
IUPAC Name2-(8-chloro-2-methylquinolin-3-yl)acetic acid
SMILESCc1nc2c(Cl)cccc2cc1CC(=O)O
InChIInChI=1S/C12H10ClNO2/c1-7-9(6-11(15)16)5-8-3-2-4-10(13)12(8)14-7/h2-5H,6H2,1H3,(H,15,16)
InChIKeyFZLQSJNIFXGAGS-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-methylpropyl 2-(8-chloro-2-methylquinolin-3-yl)acetate
CID 167151257
1-(8-chloro-2-methylquinolin-3-yl)-N-methylmethanamine
CID 82242197
2-(2-methyl-8-nitroquinolin-3-yl)acetic acid
CID 164563339
2-[2-(2,3-dichlorophenyl)-6-methyl-4-pyridinyl]acetic acid
CID 118819375
8-chloro-3-ethyl-2-propylquinoline
CID 12935082
2-(8-bromo-2-chloroquinolin-3-yl)acetic acid
CID 84644580
2,8-dichloro-3-propylquinoline
CID 63531217
2-[2-(3-chloro-2-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661888
1-(8-chloroquinolin-2-yl)propan-2-one
CID 82242117
8-chloro-3-(2-chloroethyl)-2-(2-methyl-3-pyridinyl)quinoline
CID 69044074
ethyl 2-(8-methoxy-2-methylquinolin-3-yl)acetate
CID 171788302
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
CID 123817311

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylquinolin-3-yl)acetic acid?
The IUPAC name of 2-(8-chloro-2-methylquinolin-3-yl)acetic acid (CID 164563362) is 2-(8-chloro-2-methylquinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(8-chloro-2-methylquinolin-3-yl)acetic acid?
The canonical SMILES for 2-(8-chloro-2-methylquinolin-3-yl)acetic acid is Cc1nc2c(Cl)cccc2cc1CC(=O)O.
What is the InChIKey of 2-(8-chloro-2-methylquinolin-3-yl)acetic acid?
The InChIKey is FZLQSJNIFXGAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO2/c1-7-9(6-11(15)16)5-8-3-2-4-10(13)12(8)14-7/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-(8-chloro-2-methylquinolin-3-yl)acetic acid?
2-(8-chloro-2-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-(8-chloro-2-methylquinolin-3-yl)acetic acid is sourced from PubChem (CID 164563362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).