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

C23H21FN4O2 — CID 122431847

IUPAC4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3ccn[nH]3)ccc12
InChIInChI=1S/C23H21FN4O2/c1-2-30-22-14-20(15-3-6-17(24)7-4-15)27-21-13-16(5-8-19(21)22)23(29)25-11-9-18-10-12-26-28-18/h3-8,10,12-14H,2,9,11H2,1H3,(H,25,29)(H,26,28)
InChIKeyPVXHDUZRFOCIRQ-UHFFFAOYSA-N
MW404.45 g/mol
LogP4.14
Rot. Bonds7

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

4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide (PubChem CID 122431847) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide.

Molecular Properties

Compound Name4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide
PubChem CID122431847
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide
SMILESCCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3ccn[nH]3)ccc12
InChIInChI=1S/C23H21FN4O2/c1-2-30-22-14-20(15-3-6-17(24)7-4-15)27-21-13-16(5-8-19(21)22)23(29)25-11-9-18-10-12-26-28-18/h3-8,10,12-14H,2,9,11H2,1H3,(H,25,29)(H,26,28)
InChIKeyPVXHDUZRFOCIRQ-UHFFFAOYSA-N
XLogP4.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 54.14
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-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide?
The IUPAC name of 4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide (CID 122431847) is 4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide.
What is the SMILES notation for 4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide?
The canonical SMILES for 4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide is CCOc1cc(-c2ccc(F)cc2)nc2cc(C(=O)NCCc3ccn[nH]3)ccc12.
What is the InChIKey of 4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide?
The InChIKey is PVXHDUZRFOCIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-2-30-22-14-20(15-3-6-17(24)7-4-15)27-21-13-16(5-8-19(21)22)23(29)25-11-9-18-10-12-26-28-18/h3-8,10,12-14H,2,9,11H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide?
4-ethoxy-2-(4-fluorophenyl)-N-[2-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 4.14, 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-(1H-pyrazol-5-yl)ethyl]quinoline-7-carboxamide is sourced from PubChem (CID 122431847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).