4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide

C23H24N6O3 — CID 122431377

IUPAC4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCc3n[nH]nc3C)ccc12
InChIInChI=1S/C23H24N6O3/c1-4-32-21-13-19(15-7-9-24-22(12-15)31-3)26-20-11-16(5-6-17(20)21)23(30)25-10-8-18-14(2)27-29-28-18/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,25,30)(H,27,28,29)
InChIKeyGPBKZKPRPIRSRY-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.10
Rot. Bonds8

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

4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide (PubChem CID 122431377) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
PubChem CID122431377
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCc3n[nH]nc3C)ccc12
InChIInChI=1S/C23H24N6O3/c1-4-32-21-13-19(15-7-9-24-22(12-15)31-3)26-20-11-16(5-6-17(20)21)23(30)25-10-8-18-14(2)27-29-28-18/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,25,30)(H,27,28,29)
InChIKeyGPBKZKPRPIRSRY-UHFFFAOYSA-N
XLogP3.10
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.10
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-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide (CID 122431377) is 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2ccnc(OC)c2)nc2cc(C(=O)NCCc3n[nH]nc3C)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
The InChIKey is GPBKZKPRPIRSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-4-32-21-13-19(15-7-9-24-22(12-15)31-3)26-20-11-16(5-6-17(20)21)23(30)25-10-8-18-14(2)27-29-28-18/h5-7,9,11-13H,4,8,10H2,1-3H3,(H,25,30)(H,27,28,29).
What are the key properties of 4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methoxy-4-pyridinyl)-N-[2-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.10, 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-(5-methyl-2H-triazol-4-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).