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

C21H20BrN3O — CID 144631239

IUPAC8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCC(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)cc1
InChIInChI=1S/C21H20BrN3O/c1-4-13(2)14-5-8-16(9-6-14)25-20-17-11-15(22)7-10-18(17)23-12-19(20)24(3)21(25)26/h5-13H,4H2,1-3H3
InChIKeyYQZWJRNNZBKKIL-UHFFFAOYSA-N
MW410.32 g/mol
LogP5.15
Rot. Bonds3

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

8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 144631239) has the molecular formula C21H20BrN3O and a molecular weight of 410.32 g/mol. Its IUPAC name is 8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID144631239
Molecular FormulaC21H20BrN3O
Molecular Weight410.32 g/mol
Exact Mass409.08
IUPAC Name8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCC(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)cc1
InChIInChI=1S/C21H20BrN3O/c1-4-13(2)14-5-8-16(9-6-14)25-20-17-11-15(22)7-10-18(17)23-12-19(20)24(3)21(25)26/h5-13H,4H2,1-3H3
InChIKeyYQZWJRNNZBKKIL-UHFFFAOYSA-N
XLogP5.15
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.32
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619976
8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619725
2-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-N-cyclopropyl-2-methylpropanamide
CID 174687723
8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620040
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
benzyl 3-[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxylate
CID 90182461
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 66846394
2-[4-[3-methyl-8-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
CID 66895614
N-methyl-N-[4-(3-methyl-2-oxo-8-pyridin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]ethanesulfonamide
CID 11978436
1-(4-methoxyphenyl)-3-methyl-8-thiophen-3-ylimidazo[4,5-c]quinolin-2-one
CID 134438123
4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
CID 122552647

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 144631239) is 8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one is CCC(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)cc1.
What is the InChIKey of 8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is YQZWJRNNZBKKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrN3O/c1-4-13(2)14-5-8-16(9-6-14)25-20-17-11-15(22)7-10-18(17)23-12-19(20)24(3)21(25)26/h5-13H,4H2,1-3H3.
What are the key properties of 8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 410.32 g/mol, XLogP of 5.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 144631239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).