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

C30H26N4O — CID 155528972

IUPAC1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCC(C)c1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc6ccccc6c5)ccc4ncc32)cc1
InChIInChI=1S/C30H26N4O/c1-19(2)21-10-8-20(9-11-21)18-34-28-17-32-27-13-12-22(15-25(27)29(28)33(3)30(34)35)24-14-23-6-4-5-7-26(23)31-16-24/h4-17,19H,18H2,1-3H3
InChIKeyNWBFYPBFKGOISO-UHFFFAOYSA-N
MW458.57 g/mol
LogP6.28
Rot. Bonds4

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

1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (PubChem CID 155528972) has the molecular formula C30H26N4O and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
PubChem CID155528972
Molecular FormulaC30H26N4O
Molecular Weight458.57 g/mol
Exact Mass458.21
IUPAC Name1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
SMILESCC(C)c1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc6ccccc6c5)ccc4ncc32)cc1
InChIInChI=1S/C30H26N4O/c1-19(2)21-10-8-20(9-11-21)18-34-28-17-32-27-13-12-22(15-25(27)29(28)33(3)30(34)35)24-14-23-6-4-5-7-26(23)31-16-24/h4-17,19H,18H2,1-3H3
InChIKeyNWBFYPBFKGOISO-UHFFFAOYSA-N
XLogP6.28
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.57
LogP ≤ 56.28
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-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one (CID 155528972) is 1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is CC(C)c1ccc(Cn2c(=O)n(C)c3c4cc(-c5cnc6ccccc6c5)ccc4ncc32)cc1.
What is the InChIKey of 1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
The InChIKey is NWBFYPBFKGOISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O/c1-19(2)21-10-8-20(9-11-21)18-34-28-17-32-27-13-12-22(15-25(27)29(28)33(3)30(34)35)24-14-23-6-4-5-7-26(23)31-16-24/h4-17,19H,18H2,1-3H3.
What are the key properties of 1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one?
1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one has a molecular weight of 458.57 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-propan-2-ylphenyl)methyl]-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 155528972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).