8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid

C11H8ClNO3 — CID 115042327

IUPAC8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)cc2cccc(Cl)c21
InChIInChI=1S/C11H8ClNO3/c1-13-9-6(3-2-4-8(9)12)5-7(10(13)14)11(15)16/h2-5H,1H3,(H,15,16)
InChIKeyNKFSDAQIVBHQAJ-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.89
Rot. Bonds1

About 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid

8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid (PubChem CID 115042327) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
PubChem CID115042327
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid
SMILESCn1c(=O)c(C(=O)O)cc2cccc(Cl)c21
InChIInChI=1S/C11H8ClNO3/c1-13-9-6(3-2-4-8(9)12)5-7(10(13)14)11(15)16/h2-5H,1H3,(H,15,16)
InChIKeyNKFSDAQIVBHQAJ-UHFFFAOYSA-N
XLogP1.89
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(7-chloro-1-methylindol-2-yl)-1H-pyrrole-2-carboxylic acid
CID 115110113
2-(8-chloro-1-methyl-2-oxoquinolin-3-yl)propanenitrile
CID 84632651
(7-chloro-1-methylindol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 110849758
7-chloro-1-propylindole-2-carboxylic acid
CID 83968460
7-chloro-N,N-diethyl-1-methylindole-2-carboxamide
CID 110855125
7-chloro-1-methyl-N-propan-2-ylindole-2-carboxamide
CID 110847862
(7-chloro-1-methylindol-2-yl)methanethiol
CID 117183833
3-chloronaphthalene-2-carboxylic acid;hydrochloride
CID 69376423
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255
ethyl 4-(7-chloro-1-methylindole-2-carbonyl)piperazine-1-carboxylate
CID 110853989
2-(7-chloro-1-methylindol-2-yl)propan-1-amine
CID 83868392
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333

Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid?
The IUPAC name of 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid (CID 115042327) is 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid is Cn1c(=O)c(C(=O)O)cc2cccc(Cl)c21.
What is the InChIKey of 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid?
The InChIKey is NKFSDAQIVBHQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-13-9-6(3-2-4-8(9)12)5-7(10(13)14)11(15)16/h2-5H,1H3,(H,15,16).
What are the key properties of 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid?
8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid has a molecular weight of 237.64 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-methyl-2-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 115042327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).