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

C17H18BrN3O2 — CID 118101688

IUPAC8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C17H18BrN3O2/c1-20-15-9-19-14-7-2-10(18)8-13(14)16(15)21(17(20)23)11-3-5-12(22)6-4-11/h2,7-9,11-12,22H,3-6H2,1H3
InChIKeyUULLNSVSONWCLB-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.13
Rot. Bonds1

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

8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 118101688) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID118101688
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCC(O)CC2)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C17H18BrN3O2/c1-20-15-9-19-14-7-2-10(18)8-13(14)16(15)21(17(20)23)11-3-5-12(22)6-4-11/h2,7-9,11-12,22H,3-6H2,1H3
InChIKeyUULLNSVSONWCLB-UHFFFAOYSA-N
XLogP3.13
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-((5-bromo-1-(4-hydroxybutyl)-1H-indol-2-yl)methyl)-1-cyclopropyl-1H-imidazo[4,5-c]pyridin-2(3H)-one
CID 57405227
1-(4-Hydroxycyclohexyl)-3-methyl-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379546
1-(4-Hydroxycyclohexyl)-3-methyl-8-(6-methyl-3-pyridinyl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379623
1-((1s,4s)-4-hydroxycyclohexyl)-3-methyl-8-(6-methylpyridin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101797
1-((1r,4r)-4-hydroxycyclohexyl)-3-methyl-8-(6-phenylpyridin-3-yl)-1H-imidazo[4,5-c]quinolin-2(3H)-one
CID 118101800
2-(4-(8-Bromo-3-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]quinolin-1-yl)phenyl)-2-methylpropanenitrile
CID 42609570
8-Bromo-1-(6-fluoro-2-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612894
8-Bromo-3-methyl-1-[2-methyl-6-(trifluoromethyl)pyridin-3-yl]imidazo[4,5-c]quinolin-2-one
CID 59612954
8-Bromo-1-(2-fluoro-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612966
8-Bromo-1-(6-fluoro-4-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 59612973
8-Bromo-1-(4-fluoro-phenyl)-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 69520876
8-Bromo-1-(4-fluoro-phenyl)-3-methyl-1,3-dihydro-imidazo[4,5-c]quinolin-2-one
CID 69521679

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 118101688) is 8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(C2CCC(O)CC2)c2c3cc(Br)ccc3ncc21.
What is the InChIKey of 8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is UULLNSVSONWCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-20-15-9-19-14-7-2-10(18)8-13(14)16(15)21(17(20)23)11-3-5-12(22)6-4-11/h2,7-9,11-12,22H,3-6H2,1H3.
What are the key properties of 8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 376.25 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(4-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).