4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one

C19H15F4N3O — CID 151063688

IUPAC4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one
SMILESCc1ccccc1-n1c(=O)nc(N[C@H]2C[C@H]2F)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H15F4N3O/c1-10-4-2-3-5-15(10)26-16-8-11(19(21,22)23)6-7-12(16)17(25-18(26)27)24-14-9-13(14)20/h2-8,13-14H,9H2,1H3,(H,24,25,27)/t13-,14+/m1/s1
InChIKeyMGRSEJLRHKXSNP-KGLIPLIRSA-N
MW377.34 g/mol
LogP4.24
Rot. Bonds3

About 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one

4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 151063688) has the molecular formula C19H15F4N3O and a molecular weight of 377.34 g/mol. Its IUPAC name is 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one
PubChem CID151063688
Molecular FormulaC19H15F4N3O
Molecular Weight377.34 g/mol
Exact Mass377.12
IUPAC Name4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one
SMILESCc1ccccc1-n1c(=O)nc(N[C@H]2C[C@H]2F)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H15F4N3O/c1-10-4-2-3-5-15(10)26-16-8-11(19(21,22)23)6-7-12(16)17(25-18(26)27)24-14-9-13(14)20/h2-8,13-14H,9H2,1H3,(H,24,25,27)/t13-,14+/m1/s1
InChIKeyMGRSEJLRHKXSNP-KGLIPLIRSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one with MolForge

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Related Compounds

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-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
N,N-dimethyl-2-((2-oxo-1-(o-tolyl)-7-(trifluoromethyl)-1,2-dihydroquinazolin-4-yl)amino)ethane-1-sulfonamide
CID 149401402
4-((2-(difluoromethoxy)ethyl)amino)-1-phenyl-7-(trifluoromethyl)quinazolin-2(1H)-one
CID 149849441

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one (CID 151063688) is 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one is Cc1ccccc1-n1c(=O)nc(N[C@H]2C[C@H]2F)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is MGRSEJLRHKXSNP-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H15F4N3O/c1-10-4-2-3-5-15(10)26-16-8-11(19(21,22)23)6-7-12(16)17(25-18(26)27)24-14-9-13(14)20/h2-8,13-14H,9H2,1H3,(H,24,25,27)/t13-,14+/m1/s1.
What are the key properties of 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one?
4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 377.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2R)-2-fluorocyclopropyl]amino]-1-(2-methylphenyl)-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 151063688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).