7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one

C13H12BrNO2 — CID 125483468

IUPAC7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one
SMILESCc1c(Br)ccc2cc(O)c(=O)n(C3CC3)c12
InChIInChI=1S/C13H12BrNO2/c1-7-10(14)5-2-8-6-11(16)13(17)15(12(7)8)9-3-4-9/h2,5-6,9,16H,3-4H2,1H3
InChIKeyKVBJXKYQBLSGLR-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.11
Rot. Bonds1

About 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one

7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one (PubChem CID 125483468) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one.

Molecular Properties

Compound Name7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one
PubChem CID125483468
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC Name7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one
SMILESCc1c(Br)ccc2cc(O)c(=O)n(C3CC3)c12
InChIInChI=1S/C13H12BrNO2/c1-7-10(14)5-2-8-6-11(16)13(17)15(12(7)8)9-3-4-9/h2,5-6,9,16H,3-4H2,1H3
InChIKeyKVBJXKYQBLSGLR-UHFFFAOYSA-N
XLogP3.11
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(7-bromo-5-cyclopropyl-1,6-dimethyl-4-oxoimidazo[4,5-c]quinolin-2-yl)cyclobutyl]carbamic acid
CID 126697868
4-(7-bromo-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl)-1,4-diazepane-1-carboxylic acid
CID 126697864
(4R)-7-bromo-4,6-dimethyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 68889117
[3-[(7-bromo-5-cyclopropyl-6-methyl-4-oxo-[1,3]oxazolo[4,5-c]quinolin-2-yl)-methylamino]-2-fluoro-3-oxopropyl]carbamic acid
CID 126697926
[1-cyclopropyl-7-(3-ethylpyrrolidin-1-yl)-8-methyl-2-oxoquinolin-3-yl] hypofluorite
CID 145013104
5-bromo-2-cyclopropyl-3-methylisoquinolin-1-one
CID 82378708
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-3-methoxy-8-methylquinolin-2-one
CID 130276659
[1-[1-(1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinolin-7-yl)pyrrolidin-3-yl]cyclopropyl]carbamic acid
CID 118864605
7-bromo-3-cyclobutyl-8-methyl-2-sulfanylidene-1H-quinazolin-4-one
CID 114589116
7-[(3R)-3-[(1S)-1-(chloroamino)ethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methylquinolin-2-one
CID 130293279
8-bromo-2-chloro-3-cyclopropyl-6-methylquinazolin-4-one
CID 170450465
7-[3-[(1S)-1-aminoethyl]pyrrolidin-1-yl]-1-cyclopropyl-6-fluoro-8-methyl-2-oxoquinoline-3-carboxylic acid
CID 118864696

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one?
The IUPAC name of 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one (CID 125483468) is 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one.
What is the SMILES notation for 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one?
The canonical SMILES for 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one is Cc1c(Br)ccc2cc(O)c(=O)n(C3CC3)c12.
What is the InChIKey of 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one?
The InChIKey is KVBJXKYQBLSGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-7-10(14)5-2-8-6-11(16)13(17)15(12(7)8)9-3-4-9/h2,5-6,9,16H,3-4H2,1H3.
What are the key properties of 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one?
7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one has a molecular weight of 294.15 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-cyclopropyl-3-hydroxy-8-methylquinolin-2-one is sourced from PubChem (CID 125483468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).