4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide

C23H24N6O2 — CID 134164638

IUPAC4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCCCc3cn[nH]n3)ccc12
InChIInChI=1S/C23H24N6O2/c1-3-31-22-13-20(16-8-10-24-15(2)11-16)27-21-12-17(6-7-19(21)22)23(30)25-9-4-5-18-14-26-29-28-18/h6-8,10-14H,3-5,9H2,1-2H3,(H,25,30)(H,26,28,29)
InChIKeyJPDJUKYLCFJDMN-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.48
Rot. Bonds8

About 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide (PubChem CID 134164638) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
PubChem CID134164638
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCCCc3cn[nH]n3)ccc12
InChIInChI=1S/C23H24N6O2/c1-3-31-22-13-20(16-8-10-24-15(2)11-16)27-21-12-17(6-7-19(21)22)23(30)25-9-4-5-18-14-26-29-28-18/h6-8,10-14H,3-5,9H2,1-2H3,(H,25,30)(H,26,28,29)
InChIKeyJPDJUKYLCFJDMN-UHFFFAOYSA-N
XLogP3.48
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide (CID 134164638) is 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCCCc3cn[nH]n3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The InChIKey is JPDJUKYLCFJDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-3-31-22-13-20(16-8-10-24-15(2)11-16)27-21-12-17(6-7-19(21)22)23(30)25-9-4-5-18-14-26-29-28-18/h6-8,10-14H,3-5,9H2,1-2H3,(H,25,30)(H,26,28,29).
What are the key properties of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 3.48, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 134164638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).