N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide

C13H13N3O3 — CID 2542774

IUPACN-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13N3O3/c1-14-12(18)7-15-13(19)9-6-11(17)16-10-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyTXYFFCDGOSTLOH-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.00
Rot. Bonds3

About N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 2542774) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID2542774
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC NameN-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESCNC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C13H13N3O3/c1-14-12(18)7-15-13(19)9-6-11(17)16-10-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H,14,18)(H,15,19)(H,16,17)
InChIKeyTXYFFCDGOSTLOH-UHFFFAOYSA-N
XLogP0.00
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-oxo-N-[2-oxo-2-(propylamino)ethyl]-1H-quinoline-4-carboxamide
CID 18162773
2-oxo-1H-quinoline-4-carbohydrazide
CID 676699
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
N-(2,3-dihydroxy-2-methylpropyl)-2-oxo-1H-quinoline-4-carboxamide
CID 66168370
methyl 4-[(2-oxo-1H-quinoline-4-carbonyl)amino]butanoate
CID 29131557
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 26447386
N-[(2R)-2-hydroxy-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 28934807
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 27230253
N-[2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42893716
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 111119780

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 2542774) is N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide is CNC(=O)CNC(=O)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is TXYFFCDGOSTLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-14-12(18)7-15-13(19)9-6-11(17)16-10-5-3-2-4-8(9)10/h2-6H,7H2,1H3,(H,14,18)(H,15,19)(H,16,17).
What are the key properties of N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 2542774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).