4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

C19H16F3N3O — CID 150333238

IUPAC4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)13-8-9-15-16(10-13)25(14-4-2-1-3-5-14)18(26)24-17(15)23-11-12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,23,24,26)
InChIKeyGQCZSRHFIDHCTF-UHFFFAOYSA-N
MW359.35 g/mol
LogP4.23
Rot. Bonds4

About 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one

4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (PubChem CID 150333238) has the molecular formula C19H16F3N3O and a molecular weight of 359.35 g/mol. Its IUPAC name is 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.

Molecular Properties

Compound Name4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
PubChem CID150333238
Molecular FormulaC19H16F3N3O
Molecular Weight359.35 g/mol
Exact Mass359.12
IUPAC Name4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one
SMILESO=c1nc(NCC2CC2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1
InChIInChI=1S/C19H16F3N3O/c20-19(21,22)13-8-9-15-16(10-13)25(14-4-2-1-3-5-14)18(26)24-17(15)23-11-12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,23,24,26)
InChIKeyGQCZSRHFIDHCTF-UHFFFAOYSA-N
XLogP4.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The IUPAC name of 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one (CID 150333238) is 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one.
What is the SMILES notation for 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The canonical SMILES for 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is O=c1nc(NCC2CC2)c2ccc(C(F)(F)F)cc2n1-c1ccccc1.
What is the InChIKey of 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
The InChIKey is GQCZSRHFIDHCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O/c20-19(21,22)13-8-9-15-16(10-13)25(14-4-2-1-3-5-14)18(26)24-17(15)23-11-12-6-7-12/h1-5,8-10,12H,6-7,11H2,(H,23,24,26).
What are the key properties of 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one?
4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one has a molecular weight of 359.35 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethylamino)-1-phenyl-7-(trifluoromethyl)quinazolin-2-one is sourced from PubChem (CID 150333238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).