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

C21H18N2O — CID 3112058

IUPAC3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2)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
InChIKeyCPNYAYCFMQFKQS-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.77
Rot. Bonds2

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

3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one (PubChem CID 3112058) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
PubChem CID3112058
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
SMILESCc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2)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
InChIKeyCPNYAYCFMQFKQS-UHFFFAOYSA-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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Related Compounds

Ketanserin
CID 3822
3-(2-chloroethyl)(1H,3H)quinazoline-2,4-dione
CID 78766
2-Mercapto-3-phenylquinazolin-4(3H)-one
CID 680914
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-Chlorophenyl)-1,2-dihydro-4(3H)-quinazolinone
CID 2807156
N,N'-((4-(dimethylamino)phenyl)methylene)bis(2-phenylacetamide)
CID 4296438
Glycosmicine
CID 11788
Diacylglycerol Kinase Inhibitor Ii
CID 657356
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-Allyl-2-mercapto-3H-quinazolin-4-one
CID 657947

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one (CID 3112058) is 3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one is Cc1ccc(N2C(=O)c3ccccc3NC2c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
The InChIKey is CPNYAYCFMQFKQS-UHFFFAOYSA-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.
What are the key properties of 3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one?
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 3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 3112058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).