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

C18H12F5N3O — CID 151315556

IUPAC4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NC2CC2(F)F)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C18H12F5N3O/c19-17(20)9-14(17)24-15-12-7-6-10(18(21,22)23)8-13(12)26(16(27)25-15)11-4-2-1-3-5-11/h1-8,14H,9H2,(H,24,25,27)
InChIKeyOFIOIICJYUTPTN-UHFFFAOYSA-N
MW381.30 g/mol
LogP4.22
Rot. Bonds3

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

4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 151315556) has the molecular formula C18H12F5N3O and a molecular weight of 381.30 g/mol. Its IUPAC name is 4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID151315556
Molecular FormulaC18H12F5N3O
Molecular Weight381.30 g/mol
Exact Mass381.09
IUPAC Name4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NC2CC2(F)F)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C18H12F5N3O/c19-17(20)9-14(17)24-15-12-7-6-10(18(21,22)23)8-13(12)26(16(27)25-15)11-4-2-1-3-5-11/h1-8,14H,9H2,(H,24,25,27)
InChIKeyOFIOIICJYUTPTN-UHFFFAOYSA-N
XLogP4.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 151315556) is 4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is O=c1nc(NC2CC2(F)F)c2ccc(C(F)(F)F)cc2n1-c1ccccc1.
What is the InChIKey of 4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is OFIOIICJYUTPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O/c19-17(20)9-14(17)24-15-12-7-6-10(18(21,22)23)8-13(12)26(16(27)25-15)11-4-2-1-3-5-11/h1-8,14H,9H2,(H,24,25,27).
What are the key properties of 4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 381.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-difluorocyclopropyl)amino]-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 151315556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).