8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one

C16H16BrN3O2 — CID 123265090

IUPAC8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)C1
InChIInChI=1S/C16H16BrN3O2/c1-22-11-4-3-10(7-11)20-15-12-6-9(17)2-5-13(12)18-8-14(15)19-16(20)21/h2,5-6,8,10-11H,3-4,7H2,1H3,(H,19,21)
InChIKeyISEXRHWDQIZQJJ-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.38
Rot. Bonds2

About 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one

8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 123265090) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID123265090
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCOC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)C1
InChIInChI=1S/C16H16BrN3O2/c1-22-11-4-3-10(7-11)20-15-12-6-9(17)2-5-13(12)18-8-14(15)19-16(20)21/h2,5-6,8,10-11H,3-4,7H2,1H3,(H,19,21)
InChIKeyISEXRHWDQIZQJJ-UHFFFAOYSA-N
XLogP3.38
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one (CID 123265090) is 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one is COC1CCC(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)C1.
What is the InChIKey of 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is ISEXRHWDQIZQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-22-11-4-3-10(7-11)20-15-12-6-9(17)2-5-13(12)18-8-14(15)19-16(20)21/h2,5-6,8,10-11H,3-4,7H2,1H3,(H,19,21).
What are the key properties of 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 362.23 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 123265090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).