(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

C24H24N2O — CID 7659372

IUPAC(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)18-15-13-17(14-16-18)22-25-21-12-8-7-11-20(21)23(27)26(22)19-9-5-4-6-10-19/h4-16,22,25H,1-3H3/t22-/m0/s1
InChIKeyLIUWRPDWBOKYEL-QFIPXVFZSA-N
MW356.47 g/mol
LogP5.76
Rot. Bonds2

About (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one

(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 7659372) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID7659372
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
SMILESCC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1
InChIInChI=1S/C24H24N2O/c1-24(2,3)18-15-13-17(14-16-18)22-25-21-12-8-7-11-20(21)23(27)26(22)19-9-5-4-6-10-19/h4-16,22,25H,1-3H3/t22-/m0/s1
InChIKeyLIUWRPDWBOKYEL-QFIPXVFZSA-N
XLogP5.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-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

Related Compounds

(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 804192
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
2-(4-tert-butylphenyl)-3-(3-chloro-4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 23968799
(2S)-2-(1,3-benzodioxol-5-yl)-3-(4-tert-butylphenyl)-1,2-dihydroquinazolin-4-one
CID 987243
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
3-(4-tert-butylphenyl)-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 176687475
4-[(2S)-4-oxo-3-phenyl-1,2-dihydroquinazolin-2-yl]benzoate
CID 9006940
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
(2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 1037972
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one (CID 7659372) is (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is CC(C)(C)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is LIUWRPDWBOKYEL-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N2O/c1-24(2,3)18-15-13-17(14-16-18)22-25-21-12-8-7-11-20(21)23(27)26(22)19-9-5-4-6-10-19/h4-16,22,25H,1-3H3/t22-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one?
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 356.47 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7659372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).