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

C22H19ClN2O — CID 4044354

IUPAC3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCC(c1ccccc1)C1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O/c1-15(16-7-3-2-4-8-16)21-24-20-10-6-5-9-19(20)22(26)25(21)18-13-11-17(23)12-14-18/h2-15,21,24H,1H3
InChIKeyPICLVTIVPWKLBJ-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.54
Rot. Bonds3

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

3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one (PubChem CID 4044354) has the molecular formula C22H19ClN2O and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
PubChem CID4044354
Molecular FormulaC22H19ClN2O
Molecular Weight362.86 g/mol
Exact Mass362.12
IUPAC Name3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
SMILESCC(c1ccccc1)C1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClN2O/c1-15(16-7-3-2-4-8-16)21-24-20-10-6-5-9-19(20)22(26)25(21)18-13-11-17(23)12-14-18/h2-15,21,24H,1H3
InChIKeyPICLVTIVPWKLBJ-UHFFFAOYSA-N
XLogP5.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(4-fluorophenyl)-2-[(1S)-1-phenylethyl]-1,2-dihydroquinazolin-4-one
CID 40651160
2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 72793340
(2S)-3-(4-chlorophenyl)-2-(3,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408198
(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 7027439
(2S)-3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 7331947
3-(4-methylphenyl)-2-phenyl-1,2-dihydroquinazolin-4-one
CID 3112058
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687571
2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687415
3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888645
(2S)-2,3-bis(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 805625
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984
(2S)-2-(4-methylsulfanylphenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 126010350

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one (CID 4044354) is 3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one is CC(c1ccccc1)C1Nc2ccccc2C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is PICLVTIVPWKLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O/c1-15(16-7-3-2-4-8-16)21-24-20-10-6-5-9-19(20)22(26)25(21)18-13-11-17(23)12-14-18/h2-15,21,24H,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one?
3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 362.86 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 4044354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).