(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one

C21H14ClF3N2O — CID 7027439

IUPAC(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClF3N2O/c22-13-9-11-14(12-10-13)27-19(15-5-1-3-7-17(15)21(23,24)25)26-18-8-4-2-6-16(18)20(27)28/h1-12,19,26H/t19-/m1/s1
InChIKeyFHBJYZYFYIIUSX-LJQANCHMSA-N
MW402.80 g/mol
LogP6.13
Rot. Bonds2

About (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one

(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 7027439) has the molecular formula C21H14ClF3N2O and a molecular weight of 402.80 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID7027439
Molecular FormulaC21H14ClF3N2O
Molecular Weight402.80 g/mol
Exact Mass402.07
IUPAC Name(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1c1ccc(Cl)cc1
InChIInChI=1S/C21H14ClF3N2O/c22-13-9-11-14(12-10-13)27-19(15-5-1-3-7-17(15)21(23,24)25)26-18-8-4-2-6-16(18)20(27)28/h1-12,19,26H/t19-/m1/s1
InChIKeyFHBJYZYFYIIUSX-LJQANCHMSA-N
XLogP6.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.80
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromophenyl)-3-(4-chlorophenyl)-1,2-dihydroquinazolin-4-one
CID 72793340
3-oxido-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 4744964
3-(4-chlorophenyl)-2-(3-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 2888645
(3S)-2-(4-chlorophenyl)-3-[2-(trifluoromethyl)anilino]-3H-isoindol-1-one
CID 92666288
(2S)-3-(4-chlorophenyl)-2-(3,4-dihydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 25408198
(2S)-2-(5-chloro-2-nitrophenyl)-3-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 34852320
2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 60587937
2-(4-chlorophenyl)-3-(4-propylphenyl)-1,2-dihydroquinazolin-4-one
CID 176687571
(2R)-3-(4-fluorophenyl)-2-(2-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9011901
N-[4-[(2S)-2-(2-chlorophenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
CID 40900265
3-(4-chlorophenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4044354
(2R)-2-(4-chlorophenyl)-3-(3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 1035984

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (CID 7027439) is (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@@H](c2ccccc2C(F)(F)F)N1c1ccc(Cl)cc1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is FHBJYZYFYIIUSX-LJQANCHMSA-N. The full InChI is InChI=1S/C21H14ClF3N2O/c22-13-9-11-14(12-10-13)27-19(15-5-1-3-7-17(15)21(23,24)25)26-18-8-4-2-6-16(18)20(27)28/h1-12,19,26H/t19-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
(2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 402.80 g/mol, XLogP of 6.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-[2-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 7027439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).