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

C28H22N4O2 — CID 155523570

IUPAC3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc6ccccc6c5)ccc4ncc32)cc1
InChIInChI=1S/C28H22N4O2/c1-31-27-23-14-19(21-13-20-5-3-4-6-24(20)29-15-21)9-12-25(23)30-16-26(27)32(28(31)33)17-18-7-10-22(34-2)11-8-18/h3-16H,17H2,1-2H3
InChIKeyHVYJBSUHDFURHA-UHFFFAOYSA-N
MW446.51 g/mol
LogP5.16
Rot. Bonds4

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

3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 155523570) has the molecular formula C28H22N4O2 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID155523570
Molecular FormulaC28H22N4O2
Molecular Weight446.51 g/mol
Exact Mass446.17
IUPAC Name3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc6ccccc6c5)ccc4ncc32)cc1
InChIInChI=1S/C28H22N4O2/c1-31-27-23-14-19(21-13-20-5-3-4-6-24(20)29-15-21)9-12-25(23)30-16-26(27)32(28(31)33)17-18-7-10-22(34-2)11-8-18/h3-16H,17H2,1-2H3
InChIKeyHVYJBSUHDFURHA-UHFFFAOYSA-N
XLogP5.16
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (CID 155523570) is 3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is COc1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc6ccccc6c5)ccc4ncc32)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is HVYJBSUHDFURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O2/c1-31-27-23-14-19(21-13-20-5-3-4-6-24(20)29-15-21)9-12-25(23)30-16-26(27)32(28(31)33)17-18-7-10-22(34-2)11-8-18/h3-16H,17H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 446.51 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1-methyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 155523570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).