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

C24H25N5O2 — CID 122431575

IUPAC4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H25N5O2/c1-3-31-23-15-21(17-8-11-25-16(2)13-17)28-22-14-18(6-7-20(22)23)24(30)26-10-4-5-19-9-12-27-29-19/h6-9,11-15H,3-5,10H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVLKZDWQTNNUXMD-UHFFFAOYSA-N
MW415.50 g/mol
LogP4.09
Rot. Bonds8

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

4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431575) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID122431575
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H25N5O2/c1-3-31-23-15-21(17-8-11-25-16(2)13-17)28-22-14-18(6-7-20(22)23)24(30)26-10-4-5-19-9-12-27-29-19/h6-9,11-15H,3-5,10H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyVLKZDWQTNNUXMD-UHFFFAOYSA-N
XLogP4.09
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (CID 122431575) is 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccnc(C)c2)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is VLKZDWQTNNUXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-31-23-15-21(17-8-11-25-16(2)13-17)28-22-14-18(6-7-20(22)23)24(30)26-10-4-5-19-9-12-27-29-19/h6-9,11-15H,3-5,10H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 4.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-methyl-4-pyridinyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).