8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol

C17H19BrFN3O2 — CID 145305802

IUPAC8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol
SMILESCO.Cn1c(=O)n(C2CCCC2)c2c3cc(Br)c(F)cc3ncc21
InChIInChI=1S/C16H15BrFN3O.CH4O/c1-20-14-8-19-13-7-12(18)11(17)6-10(13)15(14)21(16(20)22)9-4-2-3-5-9;1-2/h6-9H,2-5H2,1H3;2H,1H3
InChIKeyGGMRBLBRHNYACR-UHFFFAOYSA-N
MW396.26 g/mol
LogP3.51
Rot. Bonds1

About 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol

8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol (PubChem CID 145305802) has the molecular formula C17H19BrFN3O2 and a molecular weight of 396.26 g/mol. Its IUPAC name is 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol.

Molecular Properties

Compound Name8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol
PubChem CID145305802
Molecular FormulaC17H19BrFN3O2
Molecular Weight396.26 g/mol
Exact Mass395.06
IUPAC Name8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol
SMILESCO.Cn1c(=O)n(C2CCCC2)c2c3cc(Br)c(F)cc3ncc21
InChIInChI=1S/C16H15BrFN3O.CH4O/c1-20-14-8-19-13-7-12(18)11(17)6-10(13)15(14)21(16(20)22)9-4-2-3-5-9;1-2/h6-9H,2-5H2,1H3;2H,1H3
InChIKeyGGMRBLBRHNYACR-UHFFFAOYSA-N
XLogP3.51
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.26
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-7-fluoro-1-[(1S,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one;8-bromo-7-fluoro-1-[(1R,3S)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]quinolin-2-one
CID 159491069
4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexane-1-carboxylic acid
CID 122552647
8-[6-[4-(dimethylamino)piperidin-1-yl]-3-pyridinyl]-7-fluoro-3-methyl-1-[(3S)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 129104509
[4-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)cyclohexyl]methyl N-methylcarbamate
CID 138470098
1-cyclohexyl-3-methyl-8-(1H-pyrazol-5-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 143967375
7-fluoro-1-(3-methoxycyclobutyl)-3-methyl-8-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one
CID 118523351
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 123853510
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxetan-2-yl)imidazo[4,5-c]quinolin-2-one
CID 152570701
8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523399
8'-bromo-7'-fluoro-3-hydroxy-3'-methylspiro[cyclobutane-1,1'-pyrrolo[2,3-c]quinoline]-2'-one
CID 146211646
1-cyclobutyl-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]quinolin-2-one;2,2,2-trifluoroacetic acid
CID 118523405
10-(benzenesulfonyl)-3-cyclopentyl-5-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,6,8,11-tetraen-4-one;methane
CID 177039533

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol?
The IUPAC name of 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol (CID 145305802) is 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol.
What is the SMILES notation for 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol?
The canonical SMILES for 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol is CO.Cn1c(=O)n(C2CCCC2)c2c3cc(Br)c(F)cc3ncc21.
What is the InChIKey of 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol?
The InChIKey is GGMRBLBRHNYACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3O.CH4O/c1-20-14-8-19-13-7-12(18)11(17)6-10(13)15(14)21(16(20)22)9-4-2-3-5-9;1-2/h6-9H,2-5H2,1H3;2H,1H3.
What are the key properties of 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol?
8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol has a molecular weight of 396.26 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-cyclopentyl-7-fluoro-3-methylimidazo[4,5-c]quinolin-2-one;methanol is sourced from PubChem (CID 145305802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).