4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one

C33H31NO2 — CID 11948204

IUPAC4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one
SMILESCc1ccc(COc2c(Cc3ccc(C)cc3)c(=O)n(Cc3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C33H31NO2/c1-23-8-14-26(15-9-23)20-30-32(36-22-28-18-12-25(3)13-19-28)29-6-4-5-7-31(29)34(33(30)35)21-27-16-10-24(2)11-17-27/h4-19H,20-22H2,1-3H3
InChIKeyRJKQKYCFKBVFHK-UHFFFAOYSA-N
MW473.62 g/mol
LogP7.14
Rot. Bonds7

About 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one

4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one (PubChem CID 11948204) has the molecular formula C33H31NO2 and a molecular weight of 473.62 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one
PubChem CID11948204
Molecular FormulaC33H31NO2
Molecular Weight473.62 g/mol
Exact Mass473.24
IUPAC Name4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one
SMILESCc1ccc(COc2c(Cc3ccc(C)cc3)c(=O)n(Cc3ccc(C)cc3)c3ccccc23)cc1
InChIInChI=1S/C33H31NO2/c1-23-8-14-26(15-9-23)20-30-32(36-22-28-18-12-25(3)13-19-28)29-6-4-5-7-31(29)34(33(30)35)21-27-16-10-24(2)11-17-27/h4-19H,20-22H2,1-3H3
InChIKeyRJKQKYCFKBVFHK-UHFFFAOYSA-N
XLogP7.14
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one?
The IUPAC name of 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one (CID 11948204) is 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one?
The canonical SMILES for 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one is Cc1ccc(COc2c(Cc3ccc(C)cc3)c(=O)n(Cc3ccc(C)cc3)c3ccccc23)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one?
The InChIKey is RJKQKYCFKBVFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31NO2/c1-23-8-14-26(15-9-23)20-30-32(36-22-28-18-12-25(3)13-19-28)29-6-4-5-7-31(29)34(33(30)35)21-27-16-10-24(2)11-17-27/h4-19H,20-22H2,1-3H3.
What are the key properties of 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one?
4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one has a molecular weight of 473.62 g/mol, XLogP of 7.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methoxy]-1,3-bis[(4-methylphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 11948204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).