4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

C23H24N6O2 — CID 122431387

IUPAC4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)nc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12
InChIInChI=1S/C23H24N6O2/c1-3-31-21-12-19(17-7-6-15(2)25-13-17)28-20-11-16(8-9-18(20)21)23(30)24-10-4-5-22-26-14-27-29-22/h6-9,11-14H,3-5,10H2,1-2H3,(H,24,30)(H,26,27,29)
InChIKeyOVQKBODAXJKIBS-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.48
Rot. Bonds8

About 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide

4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431387) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID122431387
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)nc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12
InChIInChI=1S/C23H24N6O2/c1-3-31-21-12-19(17-7-6-15(2)25-13-17)28-20-11-16(8-9-18(20)21)23(30)24-10-4-5-22-26-14-27-29-22/h6-9,11-14H,3-5,10H2,1-2H3,(H,24,30)(H,26,27,29)
InChIKeyOVQKBODAXJKIBS-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide (CID 122431387) is 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(C)nc2)nc2cc(C(=O)NCCCc3ncn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is OVQKBODAXJKIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-3-31-21-12-19(17-7-6-15(2)25-13-17)28-20-11-16(8-9-18(20)21)23(30)24-10-4-5-22-26-14-27-29-22/h6-9,11-14H,3-5,10H2,1-2H3,(H,24,30)(H,26,27,29).
What are the key properties of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-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-(6-methyl-3-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).