3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one

C32H31N3O — CID 44514794

IUPAC3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one
SMILESCc1nc2ccc(N(C)CCCc3ccccc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31N3O/c1-24-33-30-21-20-28(34(2)22-12-15-25-13-6-3-7-14-25)23-29(30)32(36)35(24)31(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-21,23,31H,12,15,22H2,1-2H3
InChIKeyBJQISGURRNNNFG-UHFFFAOYSA-N
MW473.62 g/mol
LogP6.41
Rot. Bonds8

About 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one

3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one (PubChem CID 44514794) has the molecular formula C32H31N3O and a molecular weight of 473.62 g/mol. Its IUPAC name is 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one.

Molecular Properties

Compound Name3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one
PubChem CID44514794
Molecular FormulaC32H31N3O
Molecular Weight473.62 g/mol
Exact Mass473.25
IUPAC Name3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one
SMILESCc1nc2ccc(N(C)CCCc3ccccc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H31N3O/c1-24-33-30-21-20-28(34(2)22-12-15-25-13-6-3-7-14-25)23-29(30)32(36)35(24)31(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-21,23,31H,12,15,22H2,1-2H3
InChIKeyBJQISGURRNNNFG-UHFFFAOYSA-N
XLogP6.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.62
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-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 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one?
The IUPAC name of 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one (CID 44514794) is 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one.
What is the SMILES notation for 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one?
The canonical SMILES for 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one is Cc1nc2ccc(N(C)CCCc3ccccc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one?
The InChIKey is BJQISGURRNNNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N3O/c1-24-33-30-21-20-28(34(2)22-12-15-25-13-6-3-7-14-25)23-29(30)32(36)35(24)31(26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-11,13-14,16-21,23,31H,12,15,22H2,1-2H3.
What are the key properties of 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one?
3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one has a molecular weight of 473.62 g/mol, XLogP of 6.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-2-methyl-6-[methyl(3-phenylpropyl)amino]quinazolin-4-one is sourced from PubChem (CID 44514794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).