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

C22H22N6O2 — CID 122431407

IUPAC4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)nc2)nc2cc(C(=O)NCCc3ncn[nH]3)ccc12
InChIInChI=1S/C22H22N6O2/c1-3-30-20-11-18(16-5-4-14(2)24-12-16)27-19-10-15(6-7-17(19)20)22(29)23-9-8-21-25-13-26-28-21/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,29)(H,25,26,28)
InChIKeyXFOSXLLXGNFJQB-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.09
Rot. Bonds7

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

4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide (PubChem CID 122431407) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide
PubChem CID122431407
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(C)nc2)nc2cc(C(=O)NCCc3ncn[nH]3)ccc12
InChIInChI=1S/C22H22N6O2/c1-3-30-20-11-18(16-5-4-14(2)24-12-16)27-19-10-15(6-7-17(19)20)22(29)23-9-8-21-25-13-26-28-21/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,29)(H,25,26,28)
InChIKeyXFOSXLLXGNFJQB-UHFFFAOYSA-N
XLogP3.09
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide (CID 122431407) is 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(C)nc2)nc2cc(C(=O)NCCc3ncn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide?
The InChIKey is XFOSXLLXGNFJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-3-30-20-11-18(16-5-4-14(2)24-12-16)27-19-10-15(6-7-17(19)20)22(29)23-9-8-21-25-13-26-28-21/h4-7,10-13H,3,8-9H2,1-2H3,(H,23,29)(H,25,26,28).
What are the key properties of 4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide?
4-ethoxy-2-(6-methyl-3-pyridinyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.09, 7 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-[2-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).