2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid

C13H12ClNO3 — CID 82246809

IUPAC2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESCc1[nH]c2c(C)ccc(Cl)c2c(=O)c1CC(=O)O
InChIInChI=1S/C13H12ClNO3/c1-6-3-4-9(14)11-12(6)15-7(2)8(13(11)18)5-10(16)17/h3-4H,5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQLNWRLQRSSUHNR-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.43
Rot. Bonds2

About 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid

2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid (PubChem CID 82246809) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
PubChem CID82246809
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid
SMILESCc1[nH]c2c(C)ccc(Cl)c2c(=O)c1CC(=O)O
InChIInChI=1S/C13H12ClNO3/c1-6-3-4-9(14)11-12(6)15-7(2)8(13(11)18)5-10(16)17/h3-4H,5H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQLNWRLQRSSUHNR-UHFFFAOYSA-N
XLogP2.43
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The IUPAC name of 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid (CID 82246809) is 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid is Cc1[nH]c2c(C)ccc(Cl)c2c(=O)c1CC(=O)O.
What is the InChIKey of 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid?
The InChIKey is QLNWRLQRSSUHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-6-3-4-9(14)11-12(6)15-7(2)8(13(11)18)5-10(16)17/h3-4H,5H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid?
2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid has a molecular weight of 265.70 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,8-dimethyl-4-oxo-1H-quinolin-3-yl)acetic acid is sourced from PubChem (CID 82246809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).