3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide

C25H22N4O4 — CID 78892117

IUPAC3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C1CCc2cc(OCCNC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)ccc2N1
InChIInChI=1S/C25H22N4O4/c30-24-11-8-17-15-19(9-10-20(17)27-24)32-14-12-26-25(31)22-16-21(23-7-4-13-33-23)28-29(22)18-5-2-1-3-6-18/h1-7,9-10,13,15-16H,8,11-12,14H2,(H,26,31)(H,27,30)
InChIKeyDDKNABJJAKBXSZ-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.83
Rot. Bonds7

About 3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide

3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 78892117) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide
PubChem CID78892117
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide
SMILESO=C1CCc2cc(OCCNC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)ccc2N1
InChIInChI=1S/C25H22N4O4/c30-24-11-8-17-15-19(9-10-20(17)27-24)32-14-12-26-25(31)22-16-21(23-7-4-13-33-23)28-29(22)18-5-2-1-3-6-18/h1-7,9-10,13,15-16H,8,11-12,14H2,(H,26,31)(H,27,30)
InChIKeyDDKNABJJAKBXSZ-UHFFFAOYSA-N
XLogP3.83
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.83
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-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide (CID 78892117) is 3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide is O=C1CCc2cc(OCCNC(=O)c3cc(-c4ccco4)nn3-c3ccccc3)ccc2N1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is DDKNABJJAKBXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c30-24-11-8-17-15-19(9-10-20(17)27-24)32-14-12-26-25(31)22-16-21(23-7-4-13-33-23)28-29(22)18-5-2-1-3-6-18/h1-7,9-10,13,15-16H,8,11-12,14H2,(H,26,31)(H,27,30).
What are the key properties of 3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide?
3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 78892117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).