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

C31H29N3O — CID 44512927

IUPAC3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one
SMILESCc1nc2ccc(N(C)CCc3ccccc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29N3O/c1-23-32-29-19-18-27(33(2)21-20-24-12-6-3-7-13-24)22-28(29)31(35)34(23)30(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-19,22,30H,20-21H2,1-2H3
InChIKeyBWUYXEWNQGMIRV-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.02
Rot. Bonds7

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

3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one (PubChem CID 44512927) has the molecular formula C31H29N3O and a molecular weight of 459.59 g/mol. Its IUPAC name is 3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one.

Molecular Properties

Compound Name3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one
PubChem CID44512927
Molecular FormulaC31H29N3O
Molecular Weight459.59 g/mol
Exact Mass459.23
IUPAC Name3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one
SMILESCc1nc2ccc(N(C)CCc3ccccc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H29N3O/c1-23-32-29-19-18-27(33(2)21-20-24-12-6-3-7-13-24)22-28(29)31(35)34(23)30(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-19,22,30H,20-21H2,1-2H3
InChIKeyBWUYXEWNQGMIRV-UHFFFAOYSA-N
XLogP6.02
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methaqualone
CID 6292
Afloqualone
CID 2040
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
ME0328
CID 135566764
6-(N,N-dimethylamino)-2-(naphthalene-1-yl)-4-quinazolinone
CID 135659022
Arborine
CID 63123
2,3-Diphenyl-4(3H)-quinazolinone
CID 248040
3-methyl-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5377595
3-Phenyl-2-methylquinazolin-4-one
CID 63378
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one?
The IUPAC name of 3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one (CID 44512927) is 3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one.
What is the SMILES notation for 3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one?
The canonical SMILES for 3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one is Cc1nc2ccc(N(C)CCc3ccccc3)cc2c(=O)n1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one?
The InChIKey is BWUYXEWNQGMIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O/c1-23-32-29-19-18-27(33(2)21-20-24-12-6-3-7-13-24)22-28(29)31(35)34(23)30(25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-19,22,30H,20-21H2,1-2H3.
What are the key properties of 3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one?
3-benzhydryl-2-methyl-6-[methyl(2-phenylethyl)amino]quinazolin-4-one has a molecular weight of 459.59 g/mol, XLogP of 6.02, 7 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(2-phenylethyl)amino]quinazolin-4-one is sourced from PubChem (CID 44512927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).