6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one

C19H18F4N2O — CID 11855911

IUPAC6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
SMILESCCCC1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F
InChIInChI=1S/C19H18F4N2O/c1-2-10-18(13-6-4-3-5-7-13)15-11-14(20)8-9-16(15)24-17(26)25(18)12-19(21,22)23/h3-9,11H,2,10,12H2,1H3,(H,24,26)
InChIKeyPRJKMVXKGQYDTK-UHFFFAOYSA-N
MW366.36 g/mol
LogP5.28
Rot. Bonds4

About 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one

6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one (PubChem CID 11855911) has the molecular formula C19H18F4N2O and a molecular weight of 366.36 g/mol. Its IUPAC name is 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
PubChem CID11855911
Molecular FormulaC19H18F4N2O
Molecular Weight366.36 g/mol
Exact Mass366.14
IUPAC Name6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one
SMILESCCCC1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F
InChIInChI=1S/C19H18F4N2O/c1-2-10-18(13-6-4-3-5-7-13)15-11-14(20)8-9-16(15)24-17(26)25(18)12-19(21,22)23/h3-9,11H,2,10,12H2,1H3,(H,24,26)
InChIKeyPRJKMVXKGQYDTK-UHFFFAOYSA-N
XLogP5.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.36
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The IUPAC name of 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one (CID 11855911) is 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one.
What is the SMILES notation for 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The canonical SMILES for 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one is CCCC1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F.
What is the InChIKey of 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
The InChIKey is PRJKMVXKGQYDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4N2O/c1-2-10-18(13-6-4-3-5-7-13)15-11-14(20)8-9-16(15)24-17(26)25(18)12-19(21,22)23/h3-9,11H,2,10,12H2,1H3,(H,24,26).
What are the key properties of 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one?
6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one has a molecular weight of 366.36 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-phenyl-4-propyl-3-(2,2,2-trifluoroethyl)-1H-quinazolin-2-one is sourced from PubChem (CID 11855911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).