5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide

C25H18F3N5O2 — CID 46274669

IUPAC5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCC(NC(=O)c1ccc2c(=O)nc3c(-c4cccc(C(F)(F)F)c4)n[nH]n3c2c1)c1ccccc1
InChIInChI=1S/C25H18F3N5O2/c1-14(15-6-3-2-4-7-15)29-23(34)17-10-11-19-20(13-17)33-22(30-24(19)35)21(31-32-33)16-8-5-9-18(12-16)25(26,27)28/h2-14,32H,1H3,(H,29,34)
InChIKeyMJINLJOCTJVBFA-UHFFFAOYSA-N
MW477.45 g/mol
LogP4.75
Rot. Bonds4

About 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide

5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide (PubChem CID 46274669) has the molecular formula C25H18F3N5O2 and a molecular weight of 477.45 g/mol. Its IUPAC name is 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide
PubChem CID46274669
Molecular FormulaC25H18F3N5O2
Molecular Weight477.45 g/mol
Exact Mass477.14
IUPAC Name5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide
SMILESCC(NC(=O)c1ccc2c(=O)nc3c(-c4cccc(C(F)(F)F)c4)n[nH]n3c2c1)c1ccccc1
InChIInChI=1S/C25H18F3N5O2/c1-14(15-6-3-2-4-7-15)29-23(34)17-10-11-19-20(13-17)33-22(30-24(19)35)21(31-32-33)16-8-5-9-18(12-16)25(26,27)28/h2-14,32H,1H3,(H,29,34)
InChIKeyMJINLJOCTJVBFA-UHFFFAOYSA-N
XLogP4.75
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-fluorophenyl)-5-oxo-N-(2-phenylpropyl)-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757550
N-[(2S)-butan-2-yl]-3-(3-methylphenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 92741945
N-butan-2-yl-3-(4-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide
CID 50757498
N-[(1R)-1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7237096
1-methyl-6-(1H-pyrazol-4-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,3-b]pyridine-2-carboxamide
CID 178095357
2-[4-[[2,3-dimethyl-5-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid
CID 53389239
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
3,4-dimethoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17458520
N-(1-phenylethyl)-5-(trifluoromethyl)-1H-indole-2-carboxamide
CID 123184701
3-methyl-4-oxo-N-(1-phenylethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51111022
3-ethyl-4-oxo-N-[(1R)-1-phenylethyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 27660271
5-amino-N-[(1S)-1-phenylethyl]-1-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 11689324

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The IUPAC name of 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide (CID 46274669) is 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide.
What is the SMILES notation for 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The canonical SMILES for 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide is CC(NC(=O)c1ccc2c(=O)nc3c(-c4cccc(C(F)(F)F)c4)n[nH]n3c2c1)c1ccccc1.
What is the InChIKey of 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
The InChIKey is MJINLJOCTJVBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O2/c1-14(15-6-3-2-4-7-15)29-23(34)17-10-11-19-20(13-17)33-22(30-24(19)35)21(31-32-33)16-8-5-9-18(12-16)25(26,27)28/h2-14,32H,1H3,(H,29,34).
What are the key properties of 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide?
5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide has a molecular weight of 477.45 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(1-phenylethyl)-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide is sourced from PubChem (CID 46274669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).