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

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Related Compounds

8-bromo-7-fluoro-1-[(1S,3S)-3-methoxycyclopentyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523399
8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118502860
8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523352
8-bromo-1-(4-methylcyclohexyl)-3H-imidazo[4,5-c]quinolin-2-one;6-bromo-4-N-(4-methylcyclohexyl)quinoline-3,4-diamine;bis(carbon dioxide)
CID 158407183
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(3-methoxycyclobutyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 118502955
tert-butyl (3R)-3-(8-bromo-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate;tert-butyl (3R)-3-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)pyrrolidine-1-carboxylate;methane
CID 162087529
8-bromo-1-[4-(3-methoxyoxetan-3-yl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 90422399
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
8-bromo-1-(3-methoxycyclohexyl)-3-methyl-2H-imidazo[4,5-c]quinoline
CID 129121268
(1S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde
CID 175457564
8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one
CID 134507312
cis-(1R,3S)-3-(6-methoxy-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)cyclopentane-1-carbaldehyde
CID 166527046

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).