8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one

C16H14BrN5O — CID 59619976

IUPAC8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1cnn(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C16H14BrN5O/c1-9-7-19-21(3)15(9)22-14-11-6-10(17)4-5-12(11)18-8-13(14)20(2)16(22)23/h4-8H,1-3H3
InChIKeyWCYYOVQDGYZFHA-UHFFFAOYSA-N
MW372.23 g/mol
LogP2.68
Rot. Bonds1

About 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one

8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59619976) has the molecular formula C16H14BrN5O and a molecular weight of 372.23 g/mol. Its IUPAC name is 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59619976
Molecular FormulaC16H14BrN5O
Molecular Weight372.23 g/mol
Exact Mass371.04
IUPAC Name8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCc1cnn(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C16H14BrN5O/c1-9-7-19-21(3)15(9)22-14-11-6-10(17)4-5-12(11)18-8-13(14)20(2)16(22)23/h4-8H,1-3H3
InChIKeyWCYYOVQDGYZFHA-UHFFFAOYSA-N
XLogP2.68
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620040
8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619725
8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 144631239
8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612896
2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)-3,5-dimethylpyrazol-1-yl]-N,N-dimethylacetamide
CID 59619780
2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide
CID 174687723
4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
CID 122552647
8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane
CID 144847132
3-(4-aminophenyl)-8-bromo-1-(2-chlorophenyl)imidazo[4,5-c]quinolin-2-one
CID 67256236
7-bromo-1-methylquinoxalin-2-one
CID 12826370
4-methyl-3-[3-methyl-2-oxo-8-(1H-pyrrol-2-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 134438022
[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate
CID 138470098

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59619976) is 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one is Cc1cnn(C)c1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is WCYYOVQDGYZFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN5O/c1-9-7-19-21(3)15(9)22-14-11-6-10(17)4-5-12(11)18-8-13(14)20(2)16(22)23/h4-8H,1-3H3.
What are the key properties of 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 372.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59619976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).