3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one

C25H22N4O3 — CID 155568581

IUPAC3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)n(C)c3c4cc(-c5ccc(OC)nc5)ccc4ncc32)cc1
InChIInChI=1S/C25H22N4O3/c1-28-24-20-12-17(18-7-11-23(32-3)27-13-18)6-10-21(20)26-14-22(24)29(25(28)30)15-16-4-8-19(31-2)9-5-16/h4-14H,15H2,1-3H3
InChIKeyKVLOYMRHEPDAJE-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.02
Rot. Bonds5

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

3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one (PubChem CID 155568581) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one
PubChem CID155568581
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)n(C)c3c4cc(-c5ccc(OC)nc5)ccc4ncc32)cc1
InChIInChI=1S/C25H22N4O3/c1-28-24-20-12-17(18-7-11-23(32-3)27-13-18)6-10-21(20)26-14-22(24)29(25(28)30)15-16-4-8-19(31-2)9-5-16/h4-14H,15H2,1-3H3
InChIKeyKVLOYMRHEPDAJE-UHFFFAOYSA-N
XLogP4.02
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one (CID 155568581) is 3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one is COc1ccc(Cn2c(=O)n(C)c3c4cc(-c5ccc(OC)nc5)ccc4ncc32)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one?
The InChIKey is KVLOYMRHEPDAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-28-24-20-12-17(18-7-11-23(32-3)27-13-18)6-10-21(20)26-14-22(24)29(25(28)30)15-16-4-8-19(31-2)9-5-16/h4-14H,15H2,1-3H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one?
3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one has a molecular weight of 426.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-8-(6-methoxy-3-pyridinyl)-1-methylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 155568581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).