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

C15H14N4O2 — CID 103856696

IUPAC4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide
SMILESCC(NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cn[nH]c1
InChIInChI=1S/C15H14N4O2/c1-9(10-7-16-17-8-10)18-15(21)13-6-14(20)11-4-2-3-5-12(11)19-13/h2-9H,1H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyZTZOTFOMWNPJCX-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.74
Rot. Bonds3

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

4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide (PubChem CID 103856696) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide
PubChem CID103856696
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide
SMILESCC(NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cn[nH]c1
InChIInChI=1S/C15H14N4O2/c1-9(10-7-16-17-8-10)18-15(21)13-6-14(20)11-4-2-3-5-12(11)19-13/h2-9H,1H3,(H,16,17)(H,18,21)(H,19,20)
InChIKeyZTZOTFOMWNPJCX-UHFFFAOYSA-N
XLogP1.74
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-pyrazol-4-yl)ethyl]-1H-indole-2-carboxamide
CID 103856161
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
4,5-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103856316
2-hydroxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103857029
2-amino-N-[1-(1H-pyrazol-4-yl)ethyl]quinoline-4-carboxamide
CID 106218026
N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
2,6-dichloro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856631
[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
CID 154170770
2-cyclopropyl-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]acetic acid
CID 62695160
4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
CID 61244394

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide?
The IUPAC name of 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide (CID 103856696) is 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide.
What is the SMILES notation for 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide?
The canonical SMILES for 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide is CC(NC(=O)c1cc(=O)c2ccccc2[nH]1)c1cn[nH]c1.
What is the InChIKey of 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide?
The InChIKey is ZTZOTFOMWNPJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9(10-7-16-17-8-10)18-15(21)13-6-14(20)11-4-2-3-5-12(11)19-13/h2-9H,1H3,(H,16,17)(H,18,21)(H,19,20).
What are the key properties of 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide?
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-quinoline-2-carboxamide is sourced from PubChem (CID 103856696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).