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

C16H16BrN3O2 — CID 134507312

IUPAC8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCC1(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CCCOC1
InChIInChI=1S/C16H16BrN3O2/c1-16(5-2-6-22-9-16)20-14-11-7-10(17)3-4-12(11)18-8-13(14)19-15(20)21/h3-4,7-8H,2,5-6,9H2,1H3,(H,19,21)
InChIKeyJCAHUISOINWVKX-UHFFFAOYSA-N
MW362.23 g/mol
LogP3.17
Rot. Bonds1

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

8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one (PubChem CID 134507312) has the molecular formula C16H16BrN3O2 and a molecular weight of 362.23 g/mol. Its IUPAC name is 8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one
PubChem CID134507312
Molecular FormulaC16H16BrN3O2
Molecular Weight362.23 g/mol
Exact Mass361.04
IUPAC Name8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one
SMILESCC1(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CCCOC1
InChIInChI=1S/C16H16BrN3O2/c1-16(5-2-6-22-9-16)20-14-11-7-10(17)3-4-12(11)18-8-13(14)19-15(20)21/h3-4,7-8H,2,5-6,9H2,1H3,(H,19,21)
InChIKeyJCAHUISOINWVKX-UHFFFAOYSA-N
XLogP3.17
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.23
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-bromo-1-(3-methyloxan-3-yl)-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

Related Compounds

8-bromo-1-[(3R)-oxan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118523352
8-bromo-1-[(3R)-oxolan-3-yl]-3H-imidazo[4,5-c]quinolin-2-one
CID 118502860
8-bromo-1-(1,1-dimethyl-2,3-dihydroinden-5-yl)-3H-imidazo[4,5-c]quinolin-2-one
CID 141318530
8-bromo-1-[4-(3-methoxyoxetan-3-yl)phenyl]-3H-imidazo[4,5-c]quinolin-2-one
CID 90422399
8-bromo-1-(3-methoxycyclopentyl)-3H-imidazo[4,5-c]quinolin-2-one
CID 123265090
ethyl 2-[3-[4-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)phenyl]oxetan-3-yl]acetate
CID 90422471
8-bromo-3-methyl-3-(oxan-4-yl)-1H-imidazo[4,5-c]quinolin-3-ium-2-one
CID 118523350
methyl 2-[4-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)-3-methylpyrazol-1-yl]acetate
CID 59620049
8-bromo-3-methyl-1H-imidazo[4,5-c]quinolin-2-one;butane
CID 144847132
4-amino-6-bromoquinoline-3-carboxylic acid;oxolane
CID 144956377
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
tert-butyl 3-[4-(8-bromo-2-oxo-3H-imidazo[4,5-c]quinolin-1-yl)phenyl]piperidine-1-carboxylate
CID 90182434

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one (CID 134507312) is 8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one is CC1(n2c(=O)[nH]c3cnc4ccc(Br)cc4c32)CCCOC1.
What is the InChIKey of 8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one?
The InChIKey is JCAHUISOINWVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2/c1-16(5-2-6-22-9-16)20-14-11-7-10(17)3-4-12(11)18-8-13(14)19-15(20)21/h3-4,7-8H,2,5-6,9H2,1H3,(H,19,21).
What are the key properties of 8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one?
8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one has a molecular weight of 362.23 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(3-methyloxan-3-yl)-3H-imidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 134507312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).