2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one

C15H13F3N2O — CID 178098064

IUPAC2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESC/C=C/c1cc2c(=O)[nH]c(C3CC3)nc2cc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c1-2-3-9-6-10-12(7-11(9)15(16,17)18)19-13(8-4-5-8)20-14(10)21/h2-3,6-8H,4-5H2,1H3,(H,19,20,21)/b3-2+
InChIKeyMAEHJHPDHPJPKJ-NSCUHMNNSA-N
MW294.28 g/mol
LogP3.85
Rot. Bonds2

About 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one

2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one (PubChem CID 178098064) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
PubChem CID178098064
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
SMILESC/C=C/c1cc2c(=O)[nH]c(C3CC3)nc2cc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O/c1-2-3-9-6-10-12(7-11(9)15(16,17)18)19-13(8-4-5-8)20-14(10)21/h2-3,6-8H,4-5H2,1H3,(H,19,20,21)/b3-2+
InChIKeyMAEHJHPDHPJPKJ-NSCUHMNNSA-N
XLogP3.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-6-methyl-3H-quinazolin-4-one
CID 136578643
2-methylpropane;2-methyl-6-[(E)-sulfanyliminomethyl]-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097651
2-cyclopentyl-6-fluoro-3H-quinazolin-4-one
CID 137190164
2-pyrrolidin-3-yl-6-(trifluoromethyl)-3H-quinazolin-4-one
CID 136705332
6,7-dimethoxy-2-piperidin-4-yl-3H-quinazolin-4-one
CID 135853225
2-cyclopropyl-6-methyl-3H-pyrimido[5,4-g][1,4]benzoxazine-4,7-dione
CID 165370529
2-(3,3-difluorocyclopentyl)-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 137054048
2-cyclopropyl-6-(4,5-dihydro-1H-pyrazol-4-yl)-3H-quinazolin-4-one
CID 136617658
6-(1-aminoethyl)-2-methyl-7-(trifluoromethyl)-3H-quinazolin-4-one
CID 178097284
2-(1-ethylpiperidin-4-yl)-6-methyl-3H-quinazolin-4-one
CID 137298702
methyl 6-cyclopropyl-5-[[(1R)-1-[2-methyl-4-oxo-7-(trifluoromethyl)-3H-quinazolin-6-yl]ethyl]amino]pyridine-2-carboxylate
CID 178097250
2-cyclohexyl-6-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135447986

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one (CID 178098064) is 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one is C/C=C/c1cc2c(=O)[nH]c(C3CC3)nc2cc1C(F)(F)F.
What is the InChIKey of 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one?
The InChIKey is MAEHJHPDHPJPKJ-NSCUHMNNSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-2-3-9-6-10-12(7-11(9)15(16,17)18)19-13(8-4-5-8)20-14(10)21/h2-3,6-8H,4-5H2,1H3,(H,19,20,21)/b3-2+.
What are the key properties of 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one?
2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one has a molecular weight of 294.28 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(E)-prop-1-enyl]-7-(trifluoromethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 178098064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).