2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide

C21H18N4O2 — CID 72873584

IUPAC2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1-n1cccn1
InChIInChI=1S/C21H18N4O2/c1-14(15-7-3-5-10-19(15)25-12-6-11-22-25)23-21(27)17-13-20(26)24-18-9-4-2-8-16(17)18/h2-14H,1H3,(H,23,27)(H,24,26)
InChIKeyQJXDLVAYTGZYLF-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.20
Rot. Bonds4

About 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide

2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide (PubChem CID 72873584) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
PubChem CID72873584
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC Name2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
SMILESCC(NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1-n1cccn1
InChIInChI=1S/C21H18N4O2/c1-14(15-7-3-5-10-19(15)25-12-6-11-22-25)23-21(27)17-13-20(26)24-18-9-4-2-8-16(17)18/h2-14H,1H3,(H,23,27)(H,24,26)
InChIKeyQJXDLVAYTGZYLF-UHFFFAOYSA-N
XLogP3.20
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide (CID 72873584) is 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide is CC(NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1-n1cccn1.
What is the InChIKey of 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide?
The InChIKey is QJXDLVAYTGZYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14(15-7-3-5-10-19(15)25-12-6-11-22-25)23-21(27)17-13-20(26)24-18-9-4-2-8-16(17)18/h2-14H,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide?
2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide is sourced from PubChem (CID 72873584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).