2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide

C15H14N2O2 — CID 115661928

IUPAC2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide
SMILESC#CCC(C)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H14N2O2/c1-3-6-10(2)16-15(19)12-9-14(18)17-13-8-5-4-7-11(12)13/h1,4-5,7-10H,6H2,2H3,(H,16,19)(H,17,18)
InChIKeyCVACWCBTZQKXIJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.67
Rot. Bonds3

About 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide

2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide (PubChem CID 115661928) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide
PubChem CID115661928
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide
SMILESC#CCC(C)NC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C15H14N2O2/c1-3-6-10(2)16-15(19)12-9-14(18)17-13-8-5-4-7-11(12)13/h1,4-5,7-10H,6H2,2H3,(H,16,19)(H,17,18)
InChIKeyCVACWCBTZQKXIJ-UHFFFAOYSA-N
XLogP1.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-[(2R)-1-aminopropan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 104872786
N-(3-methylbutan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 75409323
N-(1-amino-4-methylpentan-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 63887542
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
2-oxo-N-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1H-quinoline-4-carboxamide
CID 94813358
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2579582
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 2542774
N-(2-ethylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 6456887
2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide
CID 115661722
2-oxo-N-[1-(2-pyrazol-1-ylphenyl)ethyl]-1H-quinoline-4-carboxamide
CID 72873584
N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 28934807

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide (CID 115661928) is 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide is C#CCC(C)NC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide?
The InChIKey is CVACWCBTZQKXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-3-6-10(2)16-15(19)12-9-14(18)17-13-8-5-4-7-11(12)13/h1,4-5,7-10H,6H2,2H3,(H,16,19)(H,17,18).
What are the key properties of 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide?
2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-pent-4-yn-2-yl-1H-quinoline-4-carboxamide is sourced from PubChem (CID 115661928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).