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

C25H25FN4O2 — CID 122431477

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3cn[nH]c3C)ccc12
InChIInChI=1S/C25H25FN4O2/c1-3-32-24-14-22(17-6-9-20(26)10-7-17)29-23-13-18(8-11-21(23)24)25(31)27-12-4-5-19-15-28-30-16(19)2/h6-11,13-15H,3-5,12H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyAJFFKWGGMYVUIG-UHFFFAOYSA-N
MW432.50 g/mol
LogP4.83
Rot. Bonds8

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

4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431477) has the molecular formula C25H25FN4O2 and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide
PubChem CID122431477
Molecular FormulaC25H25FN4O2
Molecular Weight432.50 g/mol
Exact Mass432.20
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3cn[nH]c3C)ccc12
InChIInChI=1S/C25H25FN4O2/c1-3-32-24-14-22(17-6-9-20(26)10-7-17)29-23-13-18(8-11-21(23)24)25(31)27-12-4-5-19-15-28-30-16(19)2/h6-11,13-15H,3-5,12H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyAJFFKWGGMYVUIG-UHFFFAOYSA-N
XLogP4.83
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide (CID 122431477) is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3cn[nH]c3C)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide?
The InChIKey is AJFFKWGGMYVUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O2/c1-3-32-24-14-22(17-6-9-20(26)10-7-17)29-23-13-18(8-11-21(23)24)25(31)27-12-4-5-19-15-28-30-16(19)2/h6-11,13-15H,3-5,12H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 4.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).