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

C24H24FN5O2 — CID 122431390

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12
InChIInChI=1S/C24H24FN5O2/c1-3-32-23-14-21(16-6-9-18(25)10-7-16)27-22-13-17(8-11-19(22)23)24(31)26-12-4-5-20-15(2)28-30-29-20/h6-11,13-14H,3-5,12H2,1-2H3,(H,26,31)(H,28,29,30)
InChIKeyIXRUMDNDVBNVMK-UHFFFAOYSA-N
MW433.49 g/mol
LogP4.23
Rot. Bonds8

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

4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431390) has the molecular formula C24H24FN5O2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
PubChem CID122431390
Molecular FormulaC24H24FN5O2
Molecular Weight433.49 g/mol
Exact Mass433.19
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12
InChIInChI=1S/C24H24FN5O2/c1-3-32-23-14-21(16-6-9-18(25)10-7-16)27-22-13-17(8-11-19(22)23)24(31)26-12-4-5-20-15(2)28-30-29-20/h6-11,13-14H,3-5,12H2,1-2H3,(H,26,31)(H,28,29,30)
InChIKeyIXRUMDNDVBNVMK-UHFFFAOYSA-N
XLogP4.23
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 54.23
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-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide (CID 122431390) is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3n[nH]nc3C)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
The InChIKey is IXRUMDNDVBNVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O2/c1-3-32-23-14-21(16-6-9-18(25)10-7-16)27-22-13-17(8-11-19(22)23)24(31)26-12-4-5-20-15(2)28-30-29-20/h6-11,13-14H,3-5,12H2,1-2H3,(H,26,31)(H,28,29,30).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide has a molecular weight of 433.49 g/mol, XLogP of 4.23, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(5-methyl-2H-triazol-4-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).