6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide

C17H19N5O — CID 70768616

IUPAC6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)NCCn3cnnc3)c2c1
InChIInChI=1S/C17H19N5O/c1-3-13-4-5-16-14(9-13)15(8-12(2)21-16)17(23)18-6-7-22-10-19-20-11-22/h4-5,8-11H,3,6-7H2,1-2H3,(H,18,23)
InChIKeyBATFEVNFZPDJIG-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.13
Rot. Bonds5

About 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide

6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide (PubChem CID 70768616) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide
PubChem CID70768616
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)NCCn3cnnc3)c2c1
InChIInChI=1S/C17H19N5O/c1-3-13-4-5-16-14(9-13)15(8-12(2)21-16)17(23)18-6-7-22-10-19-20-11-22/h4-5,8-11H,3,6-7H2,1-2H3,(H,18,23)
InChIKeyBATFEVNFZPDJIG-UHFFFAOYSA-N
XLogP2.13
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dimethyl-N-[3-(1,2,4-triazol-4-yl)propyl]quinoline-4-carboxamide
CID 70776674
N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide
CID 70726114
6-ethyl-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)-2-methylquinoline-4-carboxamide;2,2,2-trifluoroacetic acid
CID 154891873
6-fluoro-2-methyl-N-(2-piperidin-1-ylethyl)quinoline-4-carboxamide
CID 42750288
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
6-amino-N-ethyl-2-methylquinoline-4-carboxamide
CID 110489395
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389
6-bromo-2-methyl-N-(2-piperazin-1-ylethyl)quinoline-4-carboxamide
CID 119445544
6-amino-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 110489408
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
6-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 70727244

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide (CID 70768616) is 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide is CCc1ccc2nc(C)cc(C(=O)NCCn3cnnc3)c2c1.
What is the InChIKey of 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide?
The InChIKey is BATFEVNFZPDJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-3-13-4-5-16-14(9-13)15(8-12(2)21-16)17(23)18-6-7-22-10-19-20-11-22/h4-5,8-11H,3,6-7H2,1-2H3,(H,18,23).
What are the key properties of 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide?
6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 70768616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).