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

C21H18N2O — CID 7331947

IUPAC(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14,20,22H,1H3/t20-/m0/s1
InChIKeyCPNYAYCFMQFKQS-FQEVSTJZSA-N
MW314.39 g/mol
LogP4.77
Rot. Bonds2

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

(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 7331947) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is (2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID7331947
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C21H18N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14,20,22H,1H3/t20-/m0/s1
InChIKeyCPNYAYCFMQFKQS-FQEVSTJZSA-N
XLogP4.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one (CID 7331947) is (2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is CPNYAYCFMQFKQS-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H18N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14,20,22H,1H3/t20-/m0/s1.
What are the key properties of (2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one has a molecular weight of 314.39 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7331947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).