1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one

C28H22N4O — CID 155548110

IUPAC1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc6ccccc6c5)ccc4ncc32)cc1
InChIInChI=1S/C28H22N4O/c1-18-7-9-19(10-8-18)17-32-26-16-30-25-12-11-20(14-23(25)27(26)31(2)28(32)33)22-13-21-5-3-4-6-24(21)29-15-22/h3-16H,17H2,1-2H3
InChIKeyJLLHGCJJOSZKPZ-UHFFFAOYSA-N
MW430.51 g/mol
LogP5.46
Rot. Bonds3

About 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one

1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 155548110) has the molecular formula C28H22N4O and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID155548110
Molecular FormulaC28H22N4O
Molecular Weight430.51 g/mol
Exact Mass430.18
IUPAC Name1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc6ccccc6c5)ccc4ncc32)cc1
InChIInChI=1S/C28H22N4O/c1-18-7-9-19(10-8-18)17-32-26-16-30-25-12-11-20(14-23(25)27(26)31(2)28(32)33)22-13-21-5-3-4-6-24(21)29-15-22/h3-16H,17H2,1-2H3
InChIKeyJLLHGCJJOSZKPZ-UHFFFAOYSA-N
XLogP5.46
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.51
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (CID 155548110) is 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is Cc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc6ccccc6c5)ccc4ncc32)cc1.
What is the InChIKey of 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is JLLHGCJJOSZKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O/c1-18-7-9-19(10-8-18)17-32-26-16-30-25-12-11-20(14-23(25)27(26)31(2)28(32)33)22-13-21-5-3-4-6-24(21)29-15-22/h3-16H,17H2,1-2H3.
What are the key properties of 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 430.51 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 155548110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).