4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide

C26H24N6O4 — CID 122431426

IUPAC4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCOCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H24N6O4/c1-34-9-10-36-23-14-21(18-5-7-27-25(13-18)35-2)31-22-12-19(3-4-20(22)23)26(33)28-15-17-6-8-32-24(11-17)29-16-30-32/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33)
InChIKeyAQYSTTSHPDHQLA-UHFFFAOYSA-N
MW484.52 g/mol
LogP3.30
Rot. Bonds9

About 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide

4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (PubChem CID 122431426) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
PubChem CID122431426
Molecular FormulaC26H24N6O4
Molecular Weight484.52 g/mol
Exact Mass484.19
IUPAC Name4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide
SMILESCOCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12
InChIInChI=1S/C26H24N6O4/c1-34-9-10-36-23-14-21(18-5-7-27-25(13-18)35-2)31-22-12-19(3-4-20(22)23)26(33)28-15-17-6-8-32-24(11-17)29-16-30-32/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33)
InChIKeyAQYSTTSHPDHQLA-UHFFFAOYSA-N
XLogP3.30
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The IUPAC name of 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide (CID 122431426) is 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide.
What is the SMILES notation for 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The canonical SMILES for 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is COCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCc3ccn4ncnc4c3)ccc12.
What is the InChIKey of 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
The InChIKey is AQYSTTSHPDHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-34-9-10-36-23-14-21(18-5-7-27-25(13-18)35-2)31-22-12-19(3-4-20(22)23)26(33)28-15-17-6-8-32-24(11-17)29-16-30-32/h3-8,11-14,16H,9-10,15H2,1-2H3,(H,28,33).
What are the key properties of 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide?
4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 3.30, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-2-(2-methoxy-4-pyridinyl)-N-([1,2,4]triazolo[1,5-a]pyridin-7-ylmethyl)quinoline-7-carboxamide is sourced from PubChem (CID 122431426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).