N-ethyl-4-oxo-1H-quinoline-2-carboxamide

C12H12N2O2 — CID 47115379

IUPACN-ethyl-4-oxo-1H-quinoline-2-carboxamide
SMILESCCNC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H12N2O2/c1-2-13-12(16)10-7-11(15)8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyZDLGEZHNNBFMAR-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.28
Rot. Bonds2

About N-ethyl-4-oxo-1H-quinoline-2-carboxamide

N-ethyl-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 47115379) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is N-ethyl-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-oxo-1H-quinoline-2-carboxamide
PubChem CID47115379
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC NameN-ethyl-4-oxo-1H-quinoline-2-carboxamide
SMILESCCNC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C12H12N2O2/c1-2-13-12(16)10-7-11(15)8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyZDLGEZHNNBFMAR-UHFFFAOYSA-N
XLogP1.28
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 51091615
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052
[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
CID 154170770
N,N-dimethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47120436
2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
CID 79469166
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
CID 61244394
N-[(2-methylpiperidin-1-yl)methyl]-4-oxo-1H-quinoline-2-carboxamide
CID 56601767
3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 60989084
N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide
CID 51098622
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-ethyl-4-oxo-1H-quinoline-2-carboxamide (CID 47115379) is N-ethyl-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-ethyl-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-ethyl-4-oxo-1H-quinoline-2-carboxamide is CCNC(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of N-ethyl-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is ZDLGEZHNNBFMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-13-12(16)10-7-11(15)8-5-3-4-6-9(8)14-10/h3-7H,2H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-ethyl-4-oxo-1H-quinoline-2-carboxamide?
N-ethyl-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 47115379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).