8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

C20H20BrN5O — CID 59612896

IUPAC8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCN(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(C)n1
InChIInChI=1S/C20H20BrN5O/c1-5-24(3)18-9-8-16(12(2)23-18)26-19-14-10-13(21)6-7-15(14)22-11-17(19)25(4)20(26)27/h6-11H,5H2,1-4H3
InChIKeyXIQCXVVTODAWIO-UHFFFAOYSA-N
MW426.32 g/mol
LogP3.80
Rot. Bonds3

About 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one

8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59612896) has the molecular formula C20H20BrN5O and a molecular weight of 426.32 g/mol. Its IUPAC name is 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59612896
Molecular FormulaC20H20BrN5O
Molecular Weight426.32 g/mol
Exact Mass425.09
IUPAC Name8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCCN(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(C)n1
InChIInChI=1S/C20H20BrN5O/c1-5-24(3)18-9-8-16(12(2)23-18)26-19-14-10-13(21)6-7-15(14)22-11-17(19)25(4)20(26)27/h6-11H,5H2,1-4H3
InChIKeyXIQCXVVTODAWIO-UHFFFAOYSA-N
XLogP3.80
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one with MolForge

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Related Compounds

6-Bromo-4-(4-methylpiperazin-1-yl)quinazoline
CID 720655
6-Bromo-1-butyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine
CID 1602511
N'-(8-bromo-5H-pyrimido[5,4-b]indol-4-yl)-N,N-diethylethane-1,2-diamine
CID 1979800
8-Bromo-5-methyl-2-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-3,5-dihydro-pyrido[3,4-b][1,4]diazepin-4-one
CID 10004469
N-benzyl-6-bromo-2-imidazol-1-ylquinazolin-4-amine;dihydrochloride
CID 19392114
5-bromo-6-(4-methylpiperazin-1-yl)-N-(4-quinolin-3-ylphenyl)-2,3-dihydroindole-1-carboxamide
CID 44533402
1-(1-Methylindol-4-yl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
CID 46189876
(R)-8-cyclopentyl-7-ethyl-2-(1H-indol-1-yl)-5-methyl-7,8-dihydropteridin-6(5H)-one
CID 58405790
N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)propane-1,3-diamine
CID 90670049
N'-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-2,2-dimethylpropane-1,3-diamine
CID 90670050
N-(2-bromo-11-methylindolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine
CID 90670051
8-(6-Amino-3-pyridinyl)-3-methyl-1-phenylimidazo[4,5-c]quinolin-2-one
CID 127046085

Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one (CID 59612896) is 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is CCN(C)c1ccc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(C)n1.
What is the InChIKey of 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is XIQCXVVTODAWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN5O/c1-5-24(3)18-9-8-16(12(2)23-18)26-19-14-10-13(21)6-7-15(14)22-11-17(19)25(4)20(26)27/h6-11H,5H2,1-4H3.
What are the key properties of 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 426.32 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-[6-[ethyl(methyl)amino]-2-methyl-3-pyridinyl]-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).