6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione

C15H8F3N3O3 — CID 10903785

IUPAC6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione
SMILESO=C1C(Nc2ccc(OC(F)(F)F)cc2)=CC(=O)c2ncncc21
InChIInChI=1S/C15H8F3N3O3/c16-15(17,18)24-9-3-1-8(2-4-9)21-11-5-12(22)13-10(14(11)23)6-19-7-20-13/h1-7,21H
InChIKeyUGGNIADGYZOUJX-UHFFFAOYSA-N
MW335.24 g/mol
LogP2.75
Rot. Bonds3

About 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione

6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione (PubChem CID 10903785) has the molecular formula C15H8F3N3O3 and a molecular weight of 335.24 g/mol. Its IUPAC name is 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione.

Molecular Properties

Compound Name6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione
PubChem CID10903785
Molecular FormulaC15H8F3N3O3
Molecular Weight335.24 g/mol
Exact Mass335.05
IUPAC Name6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione
SMILESO=C1C(Nc2ccc(OC(F)(F)F)cc2)=CC(=O)c2ncncc21
InChIInChI=1S/C15H8F3N3O3/c16-15(17,18)24-9-3-1-8(2-4-9)21-11-5-12(22)13-10(14(11)23)6-19-7-20-13/h1-7,21H
InChIKeyUGGNIADGYZOUJX-UHFFFAOYSA-N
XLogP2.75
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxyphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3773077
2-(4-methoxyphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10250508
2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 57389158
1-[3-[6-[4-(Trifluoromethoxy)anilino]pyrimidin-4-yl]phenyl]ethanone
CID 59455597
3-(Pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)benzamide
CID 72202747
5-(Pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
CID 72203284
6-(4-methylpiperazin-1-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118198923
6-(3-Methoxyanilino)quinazoline-5,8-dione
CID 130408015
6-(3,4-Dimethoxyanilino)quinazoline-5,8-dione
CID 130408041
6-(4-Methoxyanilino)quinazoline-5,8-dione
CID 130408058
6-(3,4,5-Trimethoxyanilino)quinazoline-5,8-dione
CID 130408071
6-(2-cyanopropan-2-yl)-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 72165205

Frequently Asked Questions

What is the IUPAC name of 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione?
The IUPAC name of 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione (CID 10903785) is 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione.
What is the SMILES notation for 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione?
The canonical SMILES for 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione is O=C1C(Nc2ccc(OC(F)(F)F)cc2)=CC(=O)c2ncncc21.
What is the InChIKey of 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione?
The InChIKey is UGGNIADGYZOUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3O3/c16-15(17,18)24-9-3-1-8(2-4-9)21-11-5-12(22)13-10(14(11)23)6-19-7-20-13/h1-7,21H.
What are the key properties of 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione?
6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione has a molecular weight of 335.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(trifluoromethoxy)anilino]quinazoline-5,8-dione is sourced from PubChem (CID 10903785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).