7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one

C16H14F3N3O — CID 665345

IUPAC7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)nc2C1
InChIInChI=1S/C16H14F3N3O/c1-9-5-13-12(14(23)6-9)8-20-15(22-13)21-11-4-2-3-10(7-11)16(17,18)19/h2-4,7-9H,5-6H2,1H3,(H,20,21,22)
InChIKeyXXGQHSSAOZBHJU-UHFFFAOYSA-N
MW321.30 g/mol
LogP4.00
Rot. Bonds2

About 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one

7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 665345) has the molecular formula C16H14F3N3O and a molecular weight of 321.30 g/mol. Its IUPAC name is 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
PubChem CID665345
Molecular FormulaC16H14F3N3O
Molecular Weight321.30 g/mol
Exact Mass321.11
IUPAC Name7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)nc2C1
InChIInChI=1S/C16H14F3N3O/c1-9-5-13-12(14(23)6-9)8-20-15(22-13)21-11-4-2-3-10(7-11)16(17,18)19/h2-4,7-9H,5-6H2,1H3,(H,20,21,22)
InChIKeyXXGQHSSAOZBHJU-UHFFFAOYSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethylanilino)-7,7-dimethyl-6,8-dihydroquinazolin-5-one
CID 1416467
2-[(2,4-dimethylphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 4917731
4-Methyl-3-(4-(pyridin-3-yl) pyrimidin-2-ylamino)-N-(3-(trifluoro methyl) phenyl) benzamide (A2)
CID 11316850
4-[(4-{[3-(Trifluoromethyl)phenyl]amino}pyrimidin-2-Yl)amino]benzamide
CID 60138155
2-[(4,6-dimethylquinazolin-2-yl)amino]-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 631488
2-(2,3-dihydro-1H-indol-1-yl)-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 943239
7-methyl-2-[(3-methylphenyl)amino]-7,8-dihydroquinazolin-5(6H)-one
CID 665688
2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 2986465
4-[(5-oxo-7,8-dihydro-6H-quinazolin-2-yl)amino]benzenesulfonamide
CID 145950373
4-[(7,7-Dimethyl-5-oxo-6,8-dihydroquinazolin-2-yl)amino]benzenesulfonamide
CID 145957236
2-[(2,4-dimethylphenyl)amino]-4,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 4886326
1-[2-(4,7-Dimethyl-quinazolin-2-ylamino)-4-methyl-pyrimidin-5-yl]-ethanone
CID 647432

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one (CID 665345) is 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2cnc(Nc3cccc(C(F)(F)F)c3)nc2C1.
What is the InChIKey of 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is XXGQHSSAOZBHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O/c1-9-5-13-12(14(23)6-9)8-20-15(22-13)21-11-4-2-3-10(7-11)16(17,18)19/h2-4,7-9H,5-6H2,1H3,(H,20,21,22).
What are the key properties of 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one?
7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 321.30 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[3-(trifluoromethyl)anilino]-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 665345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).