7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione

C15H7F6N3O2 — CID 154929330

IUPAC7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccnc2C(F)(F)F)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)7-3-4-8-10(6-7)24(13(26)23-12(8)25)9-2-1-5-22-11(9)15(19,20)21/h1-6H,(H,23,25,26)
InChIKeyIKWJMIHRVLDEMU-UHFFFAOYSA-N
MW375.23 g/mol
LogP3.11
Rot. Bonds1

About 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione

7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione (PubChem CID 154929330) has the molecular formula C15H7F6N3O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
PubChem CID154929330
Molecular FormulaC15H7F6N3O2
Molecular Weight375.23 g/mol
Exact Mass375.04
IUPAC Name7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(-c2cccnc2C(F)(F)F)c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H7F6N3O2/c16-14(17,18)7-3-4-8-10(6-7)24(13(26)23-12(8)25)9-2-1-5-22-11(9)15(19,20)21/h1-6H,(H,23,25,26)
InChIKeyIKWJMIHRVLDEMU-UHFFFAOYSA-N
XLogP3.11
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
CID 147367406
5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
CID 158981409
7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
CID 170271414
3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208195
1-[3-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-2,4-dione
CID 13282380
methyl 5-[2,4-dioxo-7-(trifluoromethyl)quinazolin-1-yl]thiophene-3-carboxylate
CID 169238133
6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-2-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 124598307
3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 69441713
3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261306
1-[(E)-N-(methylideneamino)-C-[(Z)-prop-1-enyl]carbonimidoyl]-7-(trifluoromethyl)quinazoline-2,4-dione
CID 166761743
9-[4-[2,7-bis(trifluoromethyl)carbazol-9-yl]-6-chloro-1,3,5-triazin-2-yl]-2,7-bis(trifluoromethyl)carbazole
CID 167454748
6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-4-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 3264783

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
The IUPAC name of 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione (CID 154929330) is 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione.
What is the SMILES notation for 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
The canonical SMILES for 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione is O=c1[nH]c(=O)n(-c2cccnc2C(F)(F)F)c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
The InChIKey is IKWJMIHRVLDEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F6N3O2/c16-14(17,18)7-3-4-8-10(6-7)24(13(26)23-12(8)25)9-2-1-5-22-11(9)15(19,20)21/h1-6H,(H,23,25,26).
What are the key properties of 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione has a molecular weight of 375.23 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione is sourced from PubChem (CID 154929330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).