8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid

C12H10BrNO3 — CID 165474870

IUPAC8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid
SMILESCc1c(C(=O)O)c2cccc(Br)c2n(C)c1=O
InChIInChI=1S/C12H10BrNO3/c1-6-9(12(16)17)7-4-3-5-8(13)10(7)14(2)11(6)15/h3-5H,1-2H3,(H,16,17)
InChIKeyIYUNVVNMGWUPTE-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.31
Rot. Bonds1

About 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid

8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid (PubChem CID 165474870) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid
PubChem CID165474870
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid
SMILESCc1c(C(=O)O)c2cccc(Br)c2n(C)c1=O
InChIInChI=1S/C12H10BrNO3/c1-6-9(12(16)17)7-4-3-5-8(13)10(7)14(2)11(6)15/h3-5H,1-2H3,(H,16,17)
InChIKeyIYUNVVNMGWUPTE-UHFFFAOYSA-N
XLogP2.31
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,8-trimethyl-2-oxoquinoline-4-carboxylic acid
CID 165484673
8-bromo-1,3-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82251615
(E)-3-(7-bromo-1,2-dimethylindol-3-yl)prop-2-enoic acid
CID 82502304
8-bromo-4-methyl-2-oxo-1H-quinoline-3-carboxylic acid
CID 84642958
3-(7-bromo-2,3-dimethylindol-1-yl)propanoic acid
CID 82502352
2,3,4-trimethylnaphthalene-1-carboxylic acid
CID 14435026
7-ethyl-1,2-dimethylindole-3-carboxylic acid
CID 82493307
8-bromo-1,3-dimethylquinoxalin-2-one
CID 75486181
(7-bromo-1,2-dimethylindol-3-yl)methanamine
CID 82499510
2-(7-bromo-3-methylindazol-1-yl)acetic acid
CID 84712293
5-bromo-1-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 123762849
2-bromo-1-methylindole-3-carboxylic acid
CID 10800903

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid?
The IUPAC name of 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid (CID 165474870) is 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid.
What is the SMILES notation for 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid?
The canonical SMILES for 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid is Cc1c(C(=O)O)c2cccc(Br)c2n(C)c1=O.
What is the InChIKey of 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid?
The InChIKey is IYUNVVNMGWUPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c1-6-9(12(16)17)7-4-3-5-8(13)10(7)14(2)11(6)15/h3-5H,1-2H3,(H,16,17).
What are the key properties of 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid?
8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid has a molecular weight of 296.12 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1,3-dimethyl-2-oxoquinoline-4-carboxylic acid is sourced from PubChem (CID 165474870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).