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

C17H13BrN4O2 — CID 59613037

IUPAC8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ncccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C17H13BrN4O2/c1-21-14-9-20-12-6-5-10(18)8-11(12)15(14)22(17(21)23)13-4-3-7-19-16(13)24-2/h3-9H,1-2H3
InChIKeyHJSDTXPWYZAUMT-UHFFFAOYSA-N
MW385.22 g/mol
LogP3.04
Rot. Bonds2

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

8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 59613037) has the molecular formula C17H13BrN4O2 and a molecular weight of 385.22 g/mol. Its IUPAC name is 8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
PubChem CID59613037
Molecular FormulaC17H13BrN4O2
Molecular Weight385.22 g/mol
Exact Mass384.02
IUPAC Name8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ncccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21
InChIInChI=1S/C17H13BrN4O2/c1-21-14-9-20-12-6-5-10(18)8-11(12)15(14)22(17(21)23)13-4-3-7-19-16(13)24-2/h3-9H,1-2H3
InChIKeyHJSDTXPWYZAUMT-UHFFFAOYSA-N
XLogP3.04
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one (CID 59613037) is 8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is COc1ncccc1-n1c(=O)n(C)c2cnc3ccc(Br)cc3c21.
What is the InChIKey of 8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is HJSDTXPWYZAUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN4O2/c1-21-14-9-20-12-6-5-10(18)8-11(12)15(14)22(17(21)23)13-4-3-7-19-16(13)24-2/h3-9H,1-2H3.
What are the key properties of 8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one?
8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 385.22 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 59613037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).