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

C20H14ClFN2O — CID 2888645

IUPAC3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc(F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN2O/c21-14-8-10-16(11-9-14)24-19(13-4-3-5-15(22)12-13)23-18-7-2-1-6-17(18)20(24)25/h1-12,19,23H
InChIKeySAPXMYRICRCHCX-UHFFFAOYSA-N
MW352.80 g/mol
LogP5.25
Rot. Bonds2

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

3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 2888645) has the molecular formula C20H14ClFN2O and a molecular weight of 352.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
PubChem CID2888645
Molecular FormulaC20H14ClFN2O
Molecular Weight352.80 g/mol
Exact Mass352.08
IUPAC Name3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2cccc(F)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN2O/c21-14-8-10-16(11-9-14)24-19(13-4-3-5-15(22)12-13)23-18-7-2-1-6-17(18)20(24)25/h1-12,19,23H
InChIKeySAPXMYRICRCHCX-UHFFFAOYSA-N
XLogP5.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.80
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
(2S)-3-(4-chlorophenyl)-2-(3,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408198
3-(4-fluorophenyl)-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 2857755
N-[4-[(2S)-2-(3-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 41063967
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984
(2S)-2-(4-fluorophenyl)-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 712104
(2R)-3-(4-fluorophenyl)-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9007353
3-(4-chlorophenyl)-2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-1,2-dihydroquinazolin-4-one
CID 23959783
2-(4-fluorophenyl)-3-(4-propan-2-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687415
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687571
2-(4-tert-butylphenyl)-3-(3-chloro-4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 23968799
2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 72793340

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one (CID 2888645) is 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2cccc(F)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is SAPXMYRICRCHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O/c21-14-8-10-16(11-9-14)24-19(13-4-3-5-15(22)12-13)23-18-7-2-1-6-17(18)20(24)25/h1-12,19,23H.
What are the key properties of 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one?
3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 352.80 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 2888645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).