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

C21H15F3N2O — CID 1037972

IUPAC(2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O/c22-21(23,24)15-9-6-10-16(13-15)26-19(14-7-2-1-3-8-14)25-18-12-5-4-11-17(18)20(26)27/h1-13,19,25H/t19-/m0/s1
InChIKeyJMJLQMNSSWXFES-IBGZPJMESA-N
MW368.36 g/mol
LogP5.48
Rot. Bonds2

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

(2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 1037972) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is (2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID1037972
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name(2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H15F3N2O/c22-21(23,24)15-9-6-10-16(13-15)26-19(14-7-2-1-3-8-14)25-18-12-5-4-11-17(18)20(26)27/h1-13,19,25H/t19-/m0/s1
InChIKeyJMJLQMNSSWXFES-IBGZPJMESA-N
XLogP5.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 60588184
2-(2-hydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
CID 60587937
(2S)-2-(4-tert-butylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 7659372
(2S)-2-(3-chlorophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 2507080
(2S)-3-phenyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 9006944
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
4-[3-(3-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 17409789
(2R)-2-(3,5-dibromophenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 125492451
(2R)-2-(4-methylsulfanylphenyl)-3-phenyl-1,2-dihydroquinazolin-4-one
CID 804192
4-[3-(4-fluorophenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]benzoic acid
CID 43000917
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009074

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (CID 1037972) is (2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccccc2)N1c1cccc(C(F)(F)F)c1.
What is the InChIKey of (2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is JMJLQMNSSWXFES-IBGZPJMESA-N. The full InChI is InChI=1S/C21H15F3N2O/c22-21(23,24)15-9-6-10-16(13-15)26-19(14-7-2-1-3-8-14)25-18-12-5-4-11-17(18)20(26)27/h1-13,19,25H/t19-/m0/s1.
What are the key properties of (2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
(2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 368.36 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-3-[3-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 1037972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).