4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide

C24H26N6O2 — CID 122431608

IUPAC4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)nc2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12
InChIInChI=1S/C24H26N6O2/c1-4-32-23-13-21(18-8-7-15(2)26-14-18)27-22-12-17(9-10-19(22)23)24(31)25-11-5-6-20-16(3)28-30-29-20/h7-10,12-14H,4-6,11H2,1-3H3,(H,25,31)(H,28,29,30)
InChIKeyQYOPPPLKQNJUCE-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.79
Rot. Bonds8

About 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431608) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
PubChem CID122431608
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)nc2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12
InChIInChI=1S/C24H26N6O2/c1-4-32-23-13-21(18-8-7-15(2)26-14-18)27-22-12-17(9-10-19(22)23)24(31)25-11-5-6-20-16(3)28-30-29-20/h7-10,12-14H,4-6,11H2,1-3H3,(H,25,31)(H,28,29,30)
InChIKeyQYOPPPLKQNJUCE-UHFFFAOYSA-N
XLogP3.79
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.79
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-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-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-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide (CID 122431608) is 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(C)nc2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.
What is the InChIKey of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The InChIKey is QYOPPPLKQNJUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-4-32-23-13-21(18-8-7-15(2)26-14-18)27-22-12-17(9-10-19(22)23)24(31)25-11-5-6-20-16(3)28-30-29-20/h7-10,12-14H,4-6,11H2,1-3H3,(H,25,31)(H,28,29,30).
What are the key properties of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).