4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C19H14F5N3O — CID 150829561

IUPAC4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NCC2CC2(F)F)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C19H14F5N3O/c20-18(21)9-12(18)10-25-16-14-7-6-11(19(22,23)24)8-15(14)27(17(28)26-16)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H,25,26,28)
InChIKeyKLRCPZVEQUXTBJ-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.47
Rot. Bonds4

About 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 150829561) has the molecular formula C19H14F5N3O and a molecular weight of 395.33 g/mol. Its IUPAC name is 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID150829561
Molecular FormulaC19H14F5N3O
Molecular Weight395.33 g/mol
Exact Mass395.11
IUPAC Name4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NCC2CC2(F)F)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C19H14F5N3O/c20-18(21)9-12(18)10-25-16-14-7-6-11(19(22,23)24)8-15(14)27(17(28)26-16)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H,25,26,28)
InChIKeyKLRCPZVEQUXTBJ-UHFFFAOYSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Benzylamino)-1,2-dihydroquinazolin-2-one
CID 25153233
1,3-Bis[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]urea;hydrochloride
CID 44531003
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
3[4-(Methylamino)-2-oxo-7-(trifluoro-methyl)hydroquinazolinyl]benzene-carbonitrile
CID 148743987
1-(2-chlorophenyl)-7-cyclopropyl-4-(((1S,2S)-2-fluorocyclopropyl)amino)-quinazolin-2(1H)-one, single unknown enantiomer/atropisomer
CID 148754917
N,N-dimethyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 149401402

Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 150829561) is 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is O=c1nc(NCC2CC2(F)F)c2ccc(C(F)(F)F)cc2n1-c1ccccc1.
What is the InChIKey of 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is KLRCPZVEQUXTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O/c20-18(21)9-12(18)10-25-16-14-7-6-11(19(22,23)24)8-15(14)27(17(28)26-16)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H,25,26,28).
What are the key properties of 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 395.33 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluorocyclopropyl)methylamino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 150829561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).