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

C18H15F3N2O — CID 9008618

IUPAC(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(C(F)(F)F)cc2)N1C1CC1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)12-7-5-11(6-8-12)16-22-15-4-2-1-3-14(15)17(24)23(16)13-9-10-13/h1-8,13,16,22H,9-10H2/t16-/m0/s1
InChIKeyIANSZSOEUKPUQL-INIZCTEOSA-N
MW332.33 g/mol
LogP4.43
Rot. Bonds2

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

(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (PubChem CID 9008618) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is (2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
PubChem CID9008618
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Name(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccc(C(F)(F)F)cc2)N1C1CC1
InChIInChI=1S/C18H15F3N2O/c19-18(20,21)12-7-5-11(6-8-12)16-22-15-4-2-1-3-14(15)17(24)23(16)13-9-10-13/h1-8,13,16,22H,9-10H2/t16-/m0/s1
InChIKeyIANSZSOEUKPUQL-INIZCTEOSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-cyclopropyl-2-(4-fluorophenyl)-1,2-dihydroquinazolin-4-one
CID 9008606
(2R)-3-cyclopropyl-2-(4-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 9012085
(2R)-3-cyclopentyl-2-pyridin-4-yl-1,2-dihydroquinazolin-4-one
CID 51454335
N-[4-[(2R)-3-cyclopropyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 9008576
(2R)-3-cyclopropyl-2-(4-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008911
(2S)-3-cyclopropyl-2-(3-hydroxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9008682
(2S)-3-cyclopropyl-2-(3,4-dimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 31521568
(2S)-3-cyclopropyl-2-(4-imidazol-1-ylphenyl)-1,2-dihydroquinazolin-4-one
CID 51429597
(2S)-3-cyclopropyl-2-thiophen-2-yl-1,2-dihydroquinazolin-4-one
CID 9008862
3-cyclopropyl-2-(4-hydroxy-3,5-dimethylphenyl)-1,2-dihydroquinazolin-4-one
CID 84899990
N-[4-[(2S)-3-cyclopentyl-4-oxo-1,2-dihydroquinazolin-2-yl]phenyl]acetamide
CID 40795210
(2R)-3-cyclopropyl-2-(6-methoxynaphthalen-2-yl)-1,2-dihydroquinazolin-4-one
CID 9008726

Frequently Asked Questions

What is the IUPAC name of (2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one (CID 9008618) is (2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccc(C(F)(F)F)cc2)N1C1CC1.
What is the InChIKey of (2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
The InChIKey is IANSZSOEUKPUQL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15F3N2O/c19-18(20,21)12-7-5-11(6-8-12)16-22-15-4-2-1-3-14(15)17(24)23(16)13-9-10-13/h1-8,13,16,22H,9-10H2/t16-/m0/s1.
What are the key properties of (2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one?
(2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one has a molecular weight of 332.33 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-cyclopropyl-2-[4-(trifluoromethyl)phenyl]-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9008618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).