2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one

C15H11F3N2O — CID 57367070

IUPAC2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one
SMILESO=C1CCc2nc(-c3ccccc3)nc(C(F)(F)F)c2C1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)13-11-8-10(21)6-7-12(11)19-14(20-13)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyBXSFCDREDFTLGZ-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.22
Rot. Bonds1

About 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one

2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one (PubChem CID 57367070) has the molecular formula C15H11F3N2O and a molecular weight of 292.26 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one
PubChem CID57367070
Molecular FormulaC15H11F3N2O
Molecular Weight292.26 g/mol
Exact Mass292.08
IUPAC Name2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one
SMILESO=C1CCc2nc(-c3ccccc3)nc(C(F)(F)F)c2C1
InChIInChI=1S/C15H11F3N2O/c16-15(17,18)13-11-8-10(21)6-7-12(11)19-14(20-13)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyBXSFCDREDFTLGZ-UHFFFAOYSA-N
XLogP3.22
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one (CID 57367070) is 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one is O=C1CCc2nc(-c3ccccc3)nc(C(F)(F)F)c2C1.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one?
The InChIKey is BXSFCDREDFTLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O/c16-15(17,18)13-11-8-10(21)6-7-12(11)19-14(20-13)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one?
2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one has a molecular weight of 292.26 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)-7,8-dihydro-5H-quinazolin-6-one is sourced from PubChem (CID 57367070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).