N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide

C12H11N3O3 — CID 112550703

IUPACN-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
SMILESNC(=O)CONC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C12H11N3O3/c13-11(16)7-18-15-12(17)10-6-5-8-3-1-2-4-9(8)14-10/h1-6H,7H2,(H2,13,16)(H,15,17)
InChIKeyINCSTTWEUJZZCJ-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.38
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide

N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide (PubChem CID 112550703) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
PubChem CID112550703
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
SMILESNC(=O)CONC(=O)c1ccc2ccccc2n1
InChIInChI=1S/C12H11N3O3/c13-11(16)7-18-15-12(17)10-6-5-8-3-1-2-4-9(8)14-10/h1-6H,7H2,(H2,13,16)(H,15,17)
InChIKeyINCSTTWEUJZZCJ-UHFFFAOYSA-N
XLogP0.38
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethoxy)quinoline-2-carboxamide
CID 79676009
N-phenylmethoxyquinoline-2-carboxamide
CID 9227229
N-[(2-methylpropan-2-yl)oxy]quinoline-2-carboxamide
CID 82724716
quinoline-2-carboxamide;hydrobromide
CID 141009871
N-[3-(quinoline-2-carbonylamino)propyl]quinoline-2-carboxamide
CID 11603405
N-[6-(quinoline-2-carbonylamino)hexyl]quinoline-2-carboxamide
CID 139197064
2-oxo-2-quinolin-2-ylacetohydrazide
CID 20669730
N-(2-oxoethyl)quinoline-2-carboxamide
CID 134322736
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
2-amino-1-quinolin-2-ylethanone
CID 23532024
N-[2-(2-hydroxyethoxy)ethyl]quinoline-2-carboxamide
CID 60670699
N-(3-amino-2,2-dimethylpropyl)quinoline-2-carboxamide
CID 115365626

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide (CID 112550703) is N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide is NC(=O)CONC(=O)c1ccc2ccccc2n1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide?
The InChIKey is INCSTTWEUJZZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-11(16)7-18-15-12(17)10-6-5-8-3-1-2-4-9(8)14-10/h1-6H,7H2,(H2,13,16)(H,15,17).
What are the key properties of N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide?
N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide has a molecular weight of 245.24 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide is sourced from PubChem (CID 112550703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).