4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide

C22H22N6O3 — CID 122431457

IUPAC4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccnc2OC)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12
InChIInChI=1S/C22H22N6O3/c1-3-31-20-12-19(17-5-4-9-24-22(17)30-2)26-18-11-14(6-7-16(18)20)21(29)23-10-8-15-13-25-28-27-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,23,29)(H,25,27,28)
InChIKeyLQVBFWYFJRQNJQ-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.79
Rot. Bonds8

About 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide

4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide (PubChem CID 122431457) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
PubChem CID122431457
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccnc2OC)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12
InChIInChI=1S/C22H22N6O3/c1-3-31-20-12-19(17-5-4-9-24-22(17)30-2)26-18-11-14(6-7-16(18)20)21(29)23-10-8-15-13-25-28-27-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,23,29)(H,25,27,28)
InChIKeyLQVBFWYFJRQNJQ-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

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide (CID 122431457) is 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2cccnc2OC)nc2cc(C(=O)NCCc3cn[nH]n3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The InChIKey is LQVBFWYFJRQNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-3-31-20-12-19(17-5-4-9-24-22(17)30-2)26-18-11-14(6-7-16(18)20)21(29)23-10-8-15-13-25-28-27-15/h4-7,9,11-13H,3,8,10H2,1-2H3,(H,23,29)(H,25,27,28).
What are the key properties of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methoxy-3-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-3-pyridinyl)-N-[2-(2H-triazol-4-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).