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

C24H23FN4O2 — CID 122431441

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H23FN4O2/c1-2-31-23-15-21(16-5-8-18(25)9-6-16)28-22-14-17(7-10-20(22)23)24(30)26-12-3-4-19-11-13-27-29-19/h5-11,13-15H,2-4,12H2,1H3,(H,26,30)(H,27,29)
InChIKeyRNSOUHXWCNUUGZ-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.53
Rot. Bonds8

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

4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (PubChem CID 122431441) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
PubChem CID122431441
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12
InChIInChI=1S/C24H23FN4O2/c1-2-31-23-15-21(16-5-8-18(25)9-6-16)28-22-14-17(7-10-20(22)23)24(30)26-12-3-4-19-11-13-27-29-19/h5-11,13-15H,2-4,12H2,1H3,(H,26,30)(H,27,29)
InChIKeyRNSOUHXWCNUUGZ-UHFFFAOYSA-N
XLogP4.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.53
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-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide (CID 122431441) is 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCCc3ccn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
The InChIKey is RNSOUHXWCNUUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-2-31-23-15-21(16-5-8-18(25)9-6-16)28-22-14-17(7-10-20(22)23)24(30)26-12-3-4-19-11-13-27-29-19/h5-11,13-15H,2-4,12H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[3-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.53, 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-(1H-pyrazol-5-yl)propyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).