7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one

C19H17F2N3O — CID 152716491

IUPAC7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one
SMILESO=c1nc(NCC(F)F)c2ccc(C3CC3)cc2n1-c1ccccc1
InChIInChI=1S/C19H17F2N3O/c20-17(21)11-22-18-15-9-8-13(12-6-7-12)10-16(15)24(19(25)23-18)14-4-2-1-3-5-14/h1-5,8-10,12,17H,6-7,11H2,(H,22,23,25)
InChIKeyZUSHOXGYGHOCOQ-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.94
Rot. Bonds5

About 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one

7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one (PubChem CID 152716491) has the molecular formula C19H17F2N3O and a molecular weight of 341.36 g/mol. Its IUPAC name is 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one.

Molecular Properties

Compound Name7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one
PubChem CID152716491
Molecular FormulaC19H17F2N3O
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one
SMILESO=c1nc(NCC(F)F)c2ccc(C3CC3)cc2n1-c1ccccc1
InChIInChI=1S/C19H17F2N3O/c20-17(21)11-22-18-15-9-8-13(12-6-7-12)10-16(15)24(19(25)23-18)14-4-2-1-3-5-14/h1-5,8-10,12,17H,6-7,11H2,(H,22,23,25)
InChIKeyZUSHOXGYGHOCOQ-UHFFFAOYSA-N
XLogP3.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one?
The IUPAC name of 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one (CID 152716491) is 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one.
What is the SMILES notation for 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one?
The canonical SMILES for 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one is O=c1nc(NCC(F)F)c2ccc(C3CC3)cc2n1-c1ccccc1.
What is the InChIKey of 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one?
The InChIKey is ZUSHOXGYGHOCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N3O/c20-17(21)11-22-18-15-9-8-13(12-6-7-12)10-16(15)24(19(25)23-18)14-4-2-1-3-5-14/h1-5,8-10,12,17H,6-7,11H2,(H,22,23,25).
What are the key properties of 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one?
7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one has a molecular weight of 341.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-(2,2-difluoroethylamino)-1-phenylquinazolin-2-one is sourced from PubChem (CID 152716491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).