4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C20H18F3N3O — CID 150380887

IUPAC4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESC[C@@H](Nc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12)C1CC1
InChIInChI=1S/C20H18F3N3O/c1-12(13-7-8-13)24-18-16-10-9-14(20(21,22)23)11-17(16)26(19(27)25-18)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3,(H,24,25,27)/t12-/m1/s1
InChIKeyGZSDGOSGLQFVJF-GFCCVEGCSA-N
MW373.38 g/mol
LogP4.61
Rot. Bonds4

About 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 150380887) has the molecular formula C20H18F3N3O and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID150380887
Molecular FormulaC20H18F3N3O
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESC[C@@H](Nc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12)C1CC1
InChIInChI=1S/C20H18F3N3O/c1-12(13-7-8-13)24-18-16-10-9-14(20(21,22)23)11-17(16)26(19(27)25-18)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3,(H,24,25,27)/t12-/m1/s1
InChIKeyGZSDGOSGLQFVJF-GFCCVEGCSA-N
XLogP4.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one with MolForge

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Related Compounds

6-Allylamino-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 11451283
4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
6-(Ethylamino)-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 45140971
1,3-Bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea;hydrochloride
CID 44531003
6-(Propylamino)-1-isopropyl-4-(4-isopropyl-phenyl)-1H-quinazolin-2-one
CID 45140973
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
6-bromo-4-((cyclopropylmethyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 148061082
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

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 150380887) is 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is C[C@@H](Nc1nc(=O)n(-c2ccccc2)c2cc(C(F)(F)F)ccc12)C1CC1.
What is the InChIKey of 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is GZSDGOSGLQFVJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H18F3N3O/c1-12(13-7-8-13)24-18-16-10-9-14(20(21,22)23)11-17(16)26(19(27)25-18)15-5-3-2-4-6-15/h2-6,9-13H,7-8H2,1H3,(H,24,25,27)/t12-/m1/s1.
What are the key properties of 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 373.38 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R)-1-cyclopropylethyl]amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 150380887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).