6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide

C14H11F2N5O2 — CID 167990058

IUPAC6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O)c1ncn[nH]1
InChIInChI=1S/C14H11F2N5O2/c1-6(13-18-5-19-21-13)20-14(23)9-4-17-11-8(12(9)22)2-7(15)3-10(11)16/h2-6H,1H3,(H,17,22)(H,20,23)(H,18,19,21)
InChIKeyDYEVPNIJVRTFKS-UHFFFAOYSA-N
MW319.27 g/mol
LogP1.42
Rot. Bonds3

About 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide

6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide (PubChem CID 167990058) has the molecular formula C14H11F2N5O2 and a molecular weight of 319.27 g/mol. Its IUPAC name is 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide
PubChem CID167990058
Molecular FormulaC14H11F2N5O2
Molecular Weight319.27 g/mol
Exact Mass319.09
IUPAC Name6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide
SMILESCC(NC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O)c1ncn[nH]1
InChIInChI=1S/C14H11F2N5O2/c1-6(13-18-5-19-21-13)20-14(23)9-4-17-11-8(12(9)22)2-7(15)3-10(11)16/h2-6H,1H3,(H,17,22)(H,20,23)(H,18,19,21)
InChIKeyDYEVPNIJVRTFKS-UHFFFAOYSA-N
XLogP1.42
TPSA103.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide 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

3-bromo-5-fluoro-2-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 138026371
6,8-difluoro-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-4-oxo-1H-quinoline-3-carboxamide
CID 91639912
2-fluoro-5-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 113246898
6,8-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
CID 5107860
5-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-indole-3-carboxamide
CID 106281055
2-bromo-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281965
5-amino-2-fluoro-3-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281069
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
N-[2-chloro-5-(propanoylamino)phenyl]-6,8-difluoro-4-oxo-1H-quinoline-3-carboxamide
CID 154788543
2-chloro-5-methylsulfanyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 103716393
2-amino-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 106283696
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104878265

Frequently Asked Questions

What is the IUPAC name of 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide?
The IUPAC name of 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide (CID 167990058) is 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide.
What is the SMILES notation for 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide?
The canonical SMILES for 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide is CC(NC(=O)c1c[nH]c2c(F)cc(F)cc2c1=O)c1ncn[nH]1.
What is the InChIKey of 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide?
The InChIKey is DYEVPNIJVRTFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O2/c1-6(13-18-5-19-21-13)20-14(23)9-4-17-11-8(12(9)22)2-7(15)3-10(11)16/h2-6H,1H3,(H,17,22)(H,20,23)(H,18,19,21).
What are the key properties of 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide?
6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide has a molecular weight of 319.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-difluoro-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-quinoline-3-carboxamide is sourced from PubChem (CID 167990058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).