4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C18H14F5N3O — CID 150615619

IUPAC4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NC(CF)CF)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C18H14F5N3O/c19-9-12(10-20)24-16-14-7-6-11(18(21,22)23)8-15(14)26(17(27)25-16)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H,24,25,27)
InChIKeyIUUYRNHUVCJGFJ-UHFFFAOYSA-N
MW383.32 g/mol
LogP4.12
Rot. Bonds5

About 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 150615619) has the molecular formula C18H14F5N3O and a molecular weight of 383.32 g/mol. Its IUPAC name is 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID150615619
Molecular FormulaC18H14F5N3O
Molecular Weight383.32 g/mol
Exact Mass383.11
IUPAC Name4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NC(CF)CF)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C18H14F5N3O/c19-9-12(10-20)24-16-14-7-6-11(18(21,22)23)8-15(14)26(17(27)25-16)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H,24,25,27)
InChIKeyIUUYRNHUVCJGFJ-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.32
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 150615619) is 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is O=c1nc(NC(CF)CF)c2ccc(C(F)(F)F)cc2n1-c1ccccc1.
What is the InChIKey of 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is IUUYRNHUVCJGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F5N3O/c19-9-12(10-20)24-16-14-7-6-11(18(21,22)23)8-15(14)26(17(27)25-16)13-4-2-1-3-5-13/h1-8,12H,9-10H2,(H,24,25,27).
What are the key properties of 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 383.32 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-difluoropropan-2-ylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 150615619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).