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

C18H15BrN4O3 — CID 59612940

IUPAC8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(OC)n1
InChIInChI=1S/C18H15BrN4O3/c1-22-14-9-20-12-5-4-10(19)8-11(12)16(14)23(18(22)24)13-6-7-15(25-2)21-17(13)26-3/h4-9H,1-3H3
InChIKeyJCFDYHQOCUTFLJ-UHFFFAOYSA-N
MW415.25 g/mol
LogP3.05
Rot. Bonds3

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

8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59612940) has the molecular formula C18H15BrN4O3 and a molecular weight of 415.25 g/mol. Its IUPAC name is 8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59612940
Molecular FormulaC18H15BrN4O3
Molecular Weight415.25 g/mol
Exact Mass414.03
IUPAC Name8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(OC)n1
InChIInChI=1S/C18H15BrN4O3/c1-22-14-9-20-12-5-4-10(19)8-11(12)16(14)23(18(22)24)13-6-7-15(25-2)21-17(13)26-3/h4-9H,1-3H3
InChIKeyJCFDYHQOCUTFLJ-UHFFFAOYSA-N
XLogP3.05
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59612940) is 8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is COc1ccc(-n2c(=O)n(C)c3cnc4ccc(Br)cc4c32)c(OC)n1.
What is the InChIKey of 8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is JCFDYHQOCUTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN4O3/c1-22-14-9-20-12-5-4-10(19)8-11(12)16(14)23(18(22)24)13-6-7-15(25-2)21-17(13)26-3/h4-9H,1-3H3.
What are the key properties of 8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 415.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(2,6-dimethoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59612940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).