(2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one

C24H22N2O — CID 2094031

IUPAC(2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one
SMILESC/C(=C\c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C24H22N2O/c1-17-12-14-20(15-13-17)26-23(18(2)16-19-8-4-3-5-9-19)25-22-11-7-6-10-21(22)24(26)27/h3-16,23,25H,1-2H3/b18-16+/t23-/m0/s1
InChIKeyBRHPOMKOYBHVEM-NGIFANIDSA-N
MW354.45 g/mol
LogP5.50
Rot. Bonds3

About (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one

(2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one (PubChem CID 2094031) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one
PubChem CID2094031
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name(2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one
SMILESC/C(=C\c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1
InChIInChI=1S/C24H22N2O/c1-17-12-14-20(15-13-17)26-23(18(2)16-19-8-4-3-5-9-19)25-22-11-7-6-10-21(22)24(26)27/h3-16,23,25H,1-2H3/b18-16+/t23-/m0/s1
InChIKeyBRHPOMKOYBHVEM-NGIFANIDSA-N
XLogP5.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one with MolForge

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Related Compounds

3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one
CID 6106311
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
3-(4-methylphenyl)-2-(2,3,4,5,6-pentafluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888286
(2S)-3-(4-methylphenyl)-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9007444
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
(2R)-2-(3,4-dihydroxyphenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 9007397
(2R)-2-(5-methylfuran-2-yl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2094035
2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 23323162
(2S)-3-(4-methylphenyl)-2-(4-morpholin-4-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 25363719
3-(4-ethoxyphenyl)-2-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 2853469

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one (CID 2094031) is (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one is C/C(=C\c1ccccc1)[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1.
What is the InChIKey of (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one?
The InChIKey is BRHPOMKOYBHVEM-NGIFANIDSA-N. The full InChI is InChI=1S/C24H22N2O/c1-17-12-14-20(15-13-17)26-23(18(2)16-19-8-4-3-5-9-19)25-22-11-7-6-10-21(22)24(26)27/h3-16,23,25H,1-2H3/b18-16+/t23-/m0/s1.
What are the key properties of (2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one?
(2S)-3-(4-methylphenyl)-2-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one has a molecular weight of 354.45 g/mol, XLogP of 5.50, 3 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-[(E)-1-phenylprop-1-en-2-yl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2094031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).