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

C24H23FN4O2 — CID 122431370

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3cn[nH]c3C)ccc12
InChIInChI=1S/C24H23FN4O2/c1-3-31-23-13-21(16-4-7-19(25)8-5-16)28-22-12-17(6-9-20(22)23)24(30)26-11-10-18-14-27-29-15(18)2/h4-9,12-14H,3,10-11H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyLWBXFIKIELLOFZ-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.44
Rot. Bonds7

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

4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide (PubChem CID 122431370) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide
PubChem CID122431370
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3cn[nH]c3C)ccc12
InChIInChI=1S/C24H23FN4O2/c1-3-31-23-13-21(16-4-7-19(25)8-5-16)28-22-12-17(6-9-20(22)23)24(30)26-11-10-18-14-27-29-15(18)2/h4-9,12-14H,3,10-11H2,1-2H3,(H,26,30)(H,27,29)
InChIKeyLWBXFIKIELLOFZ-UHFFFAOYSA-N
XLogP4.44
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide (CID 122431370) is 4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3cn[nH]c3C)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide?
The InChIKey is LWBXFIKIELLOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-3-31-23-13-21(16-4-7-19(25)8-5-16)28-22-12-17(6-9-20(22)23)24(30)26-11-10-18-14-27-29-15(18)2/h4-9,12-14H,3,10-11H2,1-2H3,(H,26,30)(H,27,29).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 4.44, 7 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-[2-(5-methyl-1H-pyrazol-4-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).