(2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one

C19H13F3N2OS — CID 95353184

IUPAC(2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Nc2ccccc21
InChIInChI=1S/C19H13F3N2OS/c20-19(21,22)12-7-5-11(6-8-12)15-9-10-16(26-15)17-23-14-4-2-1-3-13(14)18(25)24-17/h1-10,17,23H,(H,24,25)/t17-/m1/s1
InChIKeyLUFIGBSJRBGVNL-QGZVFWFLSA-N
MW374.39 g/mol
LogP5.29
Rot. Bonds2

About (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 95353184) has the molecular formula C19H13F3N2OS and a molecular weight of 374.39 g/mol. Its IUPAC name is (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one
PubChem CID95353184
Molecular FormulaC19H13F3N2OS
Molecular Weight374.39 g/mol
Exact Mass374.07
IUPAC Name(2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Nc2ccccc21
InChIInChI=1S/C19H13F3N2OS/c20-19(21,22)12-7-5-11(6-8-12)15-9-10-16(26-15)17-23-14-4-2-1-3-13(14)18(25)24-17/h1-10,17,23H,(H,24,25)/t17-/m1/s1
InChIKeyLUFIGBSJRBGVNL-QGZVFWFLSA-N
XLogP5.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.39
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one with MolForge

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Related Compounds

(2R)-2-[5-(3-nitrophenyl)thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 35752706
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
CID 101437034
2-[4-(trifluoromethylsulfanyl)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 42926555
2-tert-butyl-5-[4-(trifluoromethyl)phenyl]thiophene
CID 59066519
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
(2R)-2-[5-(4-fluorophenyl)furan-2-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 25355031
5-[4-(trifluoromethyl)phenyl]thiophene-2-carbonitrile
CID 11242212
(2S)-2-(2-phenylpyrimidin-5-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 94548593
5,8-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]quinoxaline
CID 101376433
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
(2S,10S)-10-amino-2-[4-(trifluoromethyl)phenyl]-1,3-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-one
CID 58585668
4,10-bis[4-(trifluoromethyl)phenyl]spiro[5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraene-7,9'-fluorene]
CID 132575450

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one (CID 95353184) is (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)s2)Nc2ccccc21.
What is the InChIKey of (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is LUFIGBSJRBGVNL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H13F3N2OS/c20-19(21,22)12-7-5-11(6-8-12)15-9-10-16(26-15)17-23-14-4-2-1-3-13(14)18(25)24-17/h1-10,17,23H,(H,24,25)/t17-/m1/s1.
What are the key properties of (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 374.39 g/mol, XLogP of 5.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 95353184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).