2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one

C23H21ClN2O — CID 176687571

IUPAC2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClN2O/c1-2-5-16-8-14-19(15-9-16)26-22(17-10-12-18(24)13-11-17)25-21-7-4-3-6-20(21)23(26)27/h3-4,6-15,22,25H,2,5H2,1H3
InChIKeyGBMGOYZEBXKAHQ-UHFFFAOYSA-N
MW376.89 g/mol
LogP6.06
Rot. Bonds4

About 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one

2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 176687571) has the molecular formula C23H21ClN2O and a molecular weight of 376.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID176687571
Molecular FormulaC23H21ClN2O
Molecular Weight376.89 g/mol
Exact Mass376.13
IUPAC Name2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
SMILESCCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H21ClN2O/c1-2-5-16-8-14-19(15-9-16)26-22(17-10-12-18(24)13-11-17)25-21-7-4-3-6-20(21)23(26)27/h3-4,6-15,22,25H,2,5H2,1H3
InChIKeyGBMGOYZEBXKAHQ-UHFFFAOYSA-N
XLogP6.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.89
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687508
3-(4-butylphenyl)-2-(3,4-dichlorophenyl)-1,2-dihydroquinazolin-4-one
CID 176687506
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984
3-(4-butylphenyl)-2-naphthalen-2-yl-1,2-dihydroquinazolin-4-one
CID 176687398
(2R)-3-(4-butylphenyl)-2-(2-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 2253283
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
2-[4-(dimethylamino)phenyl]-3-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 5084249
2-(4-ethylphenyl)-3-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2901716
(2S)-3-(4-chlorophenyl)-2-(3,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408198
2-[4-[(2S)-3-(4-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetate
CID 9007176
(2R)-2-[4-[(4-bromophenyl)methoxy]phenyl]-3-(4-butylphenyl)-1,2-dihydroquinazolin-4-one
CID 124529838
3-(3,5-dimethylphenyl)-2-(4-ethylphenyl)-1,2-dihydroquinazolin-4-one
CID 23736105

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one (CID 176687571) is 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one is CCCc1ccc(N2C(=O)c3ccccc3NC2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is GBMGOYZEBXKAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O/c1-2-5-16-8-14-19(15-9-16)26-22(17-10-12-18(24)13-11-17)25-21-7-4-3-6-20(21)23(26)27/h3-4,6-15,22,25H,2,5H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one?
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 376.89 g/mol, XLogP of 6.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 176687571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).