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

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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).