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

C17H18BrN3O2 — CID 118101753

IUPAC8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCCC(O)C2)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C17H18BrN3O2/c1-20-15-9-19-14-6-5-10(18)7-13(14)16(15)21(17(20)23)11-3-2-4-12(22)8-11/h5-7,9,11-12,22H,2-4,8H2,1H3
InChIKeyKIIAFVFOCGHCBS-UHFFFAOYSA-N
MW376.25 g/mol
LogP3.13
Rot. Bonds1

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

8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 118101753) has the molecular formula C17H18BrN3O2 and a molecular weight of 376.25 g/mol. Its IUPAC name is 8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID118101753
Molecular FormulaC17H18BrN3O2
Molecular Weight376.25 g/mol
Exact Mass375.06
IUPAC Name8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCn1c(=O)n(C2CCCC(O)C2)c2c3cc(Br)ccc3ncc21
InChIInChI=1S/C17H18BrN3O2/c1-20-15-9-19-14-6-5-10(18)7-13(14)16(15)21(17(20)23)11-3-2-4-12(22)8-11/h5-7,9,11-12,22H,2-4,8H2,1H3
InChIKeyKIIAFVFOCGHCBS-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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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 118101753) is 8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one is Cn1c(=O)n(C2CCCC(O)C2)c2c3cc(Br)ccc3ncc21.
What is the InChIKey of 8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is KIIAFVFOCGHCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O2/c1-20-15-9-19-14-6-5-10(18)7-13(14)16(15)21(17(20)23)11-3-2-4-12(22)8-11/h5-7,9,11-12,22H,2-4,8H2,1H3.
What are the key properties of 8-bromo-1-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(3-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-(3-hydroxycyclohexyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 118101753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).