2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide

C19H12F3N5O2 — CID 17451589

IUPAC2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)11-5-6-16(27-10-23-9-24-27)15(7-11)26-18(29)13-8-17(28)25-14-4-2-1-3-12(13)14/h1-10H,(H,25,28)(H,26,29)
InChIKeyMPPYMQROTCJGTE-UHFFFAOYSA-N
MW399.33 g/mol
LogP3.38
Rot. Bonds3

About 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide

2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide (PubChem CID 17451589) has the molecular formula C19H12F3N5O2 and a molecular weight of 399.33 g/mol. Its IUPAC name is 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
PubChem CID17451589
Molecular FormulaC19H12F3N5O2
Molecular Weight399.33 g/mol
Exact Mass399.09
IUPAC Name2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C19H12F3N5O2/c20-19(21,22)11-5-6-16(27-10-23-9-24-27)15(7-11)26-18(29)13-8-17(28)25-14-4-2-1-3-12(13)14/h1-10H,(H,25,28)(H,26,29)
InChIKeyMPPYMQROTCJGTE-UHFFFAOYSA-N
XLogP3.38
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxo-N-[4-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide
CID 17391109
4-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 3274734
N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2538265
2-bromo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 67168193
3-phenylmethoxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]benzamide
CID 24685517
N-methyl-2-[[2-oxo-2-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8772270
5-nitro-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 24981296
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 8686577
6-cyclopropyl-1,3-dimethyl-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 44822712
2-(azocan-1-yl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 8583671
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
2-(1-formylnaphthalen-2-yl)oxy-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 52888394

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide (CID 17451589) is 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide?
The InChIKey is MPPYMQROTCJGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N5O2/c20-19(21,22)11-5-6-16(27-10-23-9-24-27)15(7-11)26-18(29)13-8-17(28)25-14-4-2-1-3-12(13)14/h1-10H,(H,25,28)(H,26,29).
What are the key properties of 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide has a molecular weight of 399.33 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 17451589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).