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

C23H24N6O3 — CID 134164633

IUPAC4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccnc2OC)nc2cc(C(=O)NCCCc3cn[nH]n3)ccc12
InChIInChI=1S/C23H24N6O3/c1-3-32-21-13-20(18-7-5-11-25-23(18)31-2)27-19-12-15(8-9-17(19)21)22(30)24-10-4-6-16-14-26-29-28-16/h5,7-9,11-14H,3-4,6,10H2,1-2H3,(H,24,30)(H,26,28,29)
InChIKeyNBQQOFULOOIBFT-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.18
Rot. Bonds9

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

4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide (PubChem CID 134164633) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
PubChem CID134164633
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2cccnc2OC)nc2cc(C(=O)NCCCc3cn[nH]n3)ccc12
InChIInChI=1S/C23H24N6O3/c1-3-32-21-13-20(18-7-5-11-25-23(18)31-2)27-19-12-15(8-9-17(19)21)22(30)24-10-4-6-16-14-26-29-28-16/h5,7-9,11-14H,3-4,6,10H2,1-2H3,(H,24,30)(H,26,28,29)
InChIKeyNBQQOFULOOIBFT-UHFFFAOYSA-N
XLogP3.18
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide (CID 134164633) is 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2cccnc2OC)nc2cc(C(=O)NCCCc3cn[nH]n3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The InChIKey is NBQQOFULOOIBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-3-32-21-13-20(18-7-5-11-25-23(18)31-2)27-19-12-15(8-9-17(19)21)22(30)24-10-4-6-16-14-26-29-28-16/h5,7-9,11-14H,3-4,6,10H2,1-2H3,(H,24,30)(H,26,28,29).
What are the key properties of 4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methoxy-3-pyridinyl)-N-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 3.18, 9 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-[3-(2H-triazol-4-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 134164633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).