4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C16H12F3N3O — CID 150275149

IUPAC4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H12F3N3O/c1-20-14-12-8-7-10(16(17,18)19)9-13(12)22(15(23)21-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21,23)
InChIKeyGEKDQWJWACUGHU-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.45
Rot. Bonds2

About 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 150275149) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID150275149
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESCNc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C16H12F3N3O/c1-20-14-12-8-7-10(16(17,18)19)9-13(12)22(15(23)21-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21,23)
InChIKeyGEKDQWJWACUGHU-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-2-(4-fluoro-phenyl)-1,2-dihydro-quinazolin-4-ylamine
CID 11139807
4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
N-methyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 146714109
4-Amino-1-phenyl-7-(trifluoromethyl)-hydroquinazolin-2-one
CID 146721284
4-(Methylamino)-1-(2-methylphenyl)-7-(trifluoromethyl)hydroquinazolin-2-one
CID 146970364
Amino(2-{[1-(2-methylphenyl)-2-oxo-7-(trifluoromethyl)hydroquinazolin-4-yl]-amino}ethyl)sulfonamide
CID 146976377
1-(2-chlorophenyl)-7-(1,1-difluoroethyl)-4-(methylamino)quinazolin-2(1H)-one
CID 147772151
6-chloro-1-(2-chlorophenyl)-4-(methylamino)-7-(trifluoromethyl)-quinazolin-2(1H)-one
CID 147854736
1-(2-chlorophenyl)-7-cyclopropyl-6-fluoro-4-(methylamino)quinazolin-2(1H)-one
CID 148114661
N-cyclopropyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 148115080
1-Phenyl-4-[(2,2,2-trifluoroethyl)amino]-7-(trifluoromethyphydroquinazolin-2-one
CID 148228893
3[4-(Methylamino)-2-oxo-7-(trifluoro-methyl)hydroquinazolinyl]benzene-carbonitrile
CID 148743987

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 150275149) is 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is CNc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is GEKDQWJWACUGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c1-20-14-12-8-7-10(16(17,18)19)9-13(12)22(15(23)21-14)11-5-3-2-4-6-11/h2-9H,1H3,(H,20,21,23).
What are the key properties of 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 319.29 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 150275149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).