4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide

C22H22N6O3 — CID 122431440

IUPAC4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12
InChIInChI=1S/C22H22N6O3/c1-3-31-20-12-18(14-6-8-23-21(11-14)30-2)26-19-10-15(4-5-17(19)20)22(29)24-9-7-16-13-25-28-27-16/h4-6,8,10-13H,3,7,9H2,1-2H3,(H,24,29)(H,25,27,28)
InChIKeyIYBMIAAVERKKJJ-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.79
Rot. Bonds8

About 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide

4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide (PubChem CID 122431440) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
PubChem CID122431440
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12
InChIInChI=1S/C22H22N6O3/c1-3-31-20-12-18(14-6-8-23-21(11-14)30-2)26-19-10-15(4-5-17(19)20)22(29)24-9-7-16-13-25-28-27-16/h4-6,8,10-13H,3,7,9H2,1-2H3,(H,24,29)(H,25,27,28)
InChIKeyIYBMIAAVERKKJJ-UHFFFAOYSA-N
XLogP2.79
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]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-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide (CID 122431440) is 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The InChIKey is IYBMIAAVERKKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-3-31-20-12-18(14-6-8-23-21(11-14)30-2)26-19-10-15(4-5-17(19)20)22(29)24-9-7-16-13-25-28-27-16/h4-6,8,10-13H,3,7,9H2,1-2H3,(H,24,29)(H,25,27,28).
What are the key properties of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide has a molecular weight of 418.46 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).