3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide

C25H25FN6O2 — CID 118454045

IUPAC3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide
SMILESO=C(NCCCc1cn[nH]c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H25FN6O2/c26-20-6-3-18(4-7-20)23-24(32-10-12-34-13-11-32)31-21-8-5-19(14-22(21)30-23)25(33)27-9-1-2-17-15-28-29-16-17/h3-8,14-16H,1-2,9-13H2,(H,27,33)(H,28,29)
InChIKeyOJLFQMVSCZJKIU-UHFFFAOYSA-N
MW460.51 g/mol
LogP3.36
Rot. Bonds7

About 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide

3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide (PubChem CID 118454045) has the molecular formula C25H25FN6O2 and a molecular weight of 460.51 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide
PubChem CID118454045
Molecular FormulaC25H25FN6O2
Molecular Weight460.51 g/mol
Exact Mass460.20
IUPAC Name3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide
SMILESO=C(NCCCc1cn[nH]c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1
InChIInChI=1S/C25H25FN6O2/c26-20-6-3-18(4-7-20)23-24(32-10-12-34-13-11-32)31-21-8-5-19(14-22(21)30-23)25(33)27-9-1-2-17-15-28-29-16-17/h3-8,14-16H,1-2,9-13H2,(H,27,33)(H,28,29)
InChIKeyOJLFQMVSCZJKIU-UHFFFAOYSA-N
XLogP3.36
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.51
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide (CID 118454045) is 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide is O=C(NCCCc1cn[nH]c1)c1ccc2nc(N3CCOCC3)c(-c3ccc(F)cc3)nc2c1.
What is the InChIKey of 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide?
The InChIKey is OJLFQMVSCZJKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O2/c26-20-6-3-18(4-7-20)23-24(32-10-12-34-13-11-32)31-21-8-5-19(14-22(21)30-23)25(33)27-9-1-2-17-15-28-29-16-17/h3-8,14-16H,1-2,9-13H2,(H,27,33)(H,28,29).
What are the key properties of 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide?
3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide has a molecular weight of 460.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-morpholin-4-yl-N-[3-(1H-pyrazol-4-yl)propyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 118454045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).