8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane

C15H18BrN3O — CID 144847132

IUPAC8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane
SMILESCCCC.Cn1c(=O)[nH]c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C11H8BrN3O.C4H10/c1-15-9-5-13-8-3-2-6(12)4-7(8)10(9)14-11(15)16;1-3-4-2/h2-5H,1H3,(H,14,16);3-4H2,1-2H3
InChIKeyTVHJMRFQEXVPCY-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.98
Rot. Bonds1

About 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane

8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane (PubChem CID 144847132) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane.

Molecular Properties

Compound Name8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane
PubChem CID144847132
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane
SMILESCCCC.Cn1c(=O)[nH]c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C11H8BrN3O.C4H10/c1-15-9-5-13-8-3-2-6(12)4-7(8)10(9)14-11(15)16;1-3-4-2/h2-5H,1H3,(H,14,16);3-4H2,1-2H3
InChIKeyTVHJMRFQEXVPCY-UHFFFAOYSA-N
XLogP3.98
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-bromo-1-methylquinoxalin-2-one
CID 12826370
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1H-imidazo[4,5-c]quinolin-2-one;piperidine
CID 144847102
8-bromo-1-(4-butan-2-ylphenyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 144631239
6-bromo-3-[2-(propylamino)ethyl]quinazolin-4-one
CID 62563599
8-bromo-1-(1,4-dimethylpyrazol-5-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619976
6-bromo-3-methyl-1H-quinazoline-2,4-dione
CID 3881862
8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612896
8-bromo-1-methyl-2-oxo-3H-pyrrolo[2,3-c]quinoline-1-carbonitrile
CID 163419044
8-bromo-1-(3-chloro-1-methylpyrazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59619725
8-bromo-1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59620040
6-bromo-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 62563754
6-bromo-1-pentylquinazoline-2,4-dione
CID 141462501

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane?
The IUPAC name of 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane (CID 144847132) is 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane.
What is the SMILES notation for 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane?
The canonical SMILES for 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane is CCCC.Cn1c(=O)[nH]c2c3cc(Br)ccc3ncc21.
What is the InChIKey of 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane?
The InChIKey is TVHJMRFQEXVPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O.C4H10/c1-15-9-5-13-8-3-2-6(12)4-7(8)10(9)14-11(15)16;1-3-4-2/h2-5H,1H3,(H,14,16);3-4H2,1-2H3.
What are the key properties of 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane?
8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane has a molecular weight of 336.23 g/mol, XLogP of 3.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane is sourced from PubChem (CID 144847132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).