N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide

C12H11N3O3 — CID 112550935

IUPACN-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
SMILESNC(=O)CONC(=O)c1cccc2ncccc12
InChIInChI=1S/C12H11N3O3/c13-11(16)7-18-15-12(17)9-3-1-5-10-8(9)4-2-6-14-10/h1-6H,7H2,(H2,13,16)(H,15,17)
InChIKeyODNJIZUFKPFQBP-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.38
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide

N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide (PubChem CID 112550935) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
PubChem CID112550935
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC NameN-(2-amino-2-oxoethoxy)quinoline-5-carboxamide
SMILESNC(=O)CONC(=O)c1cccc2ncccc12
InChIInChI=1S/C12H11N3O3/c13-11(16)7-18-15-12(17)9-3-1-5-10-8(9)4-2-6-14-10/h1-6H,7H2,(H2,13,16)(H,15,17)
InChIKeyODNJIZUFKPFQBP-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

2-(quinolin-5-ylsulfonylamino)oxyacetamide
CID 113451705
N-[(2Z)-2-amino-2-hydroxyiminoethyl]quinoline-5-carboxamide
CID 62875902
N-[(4-aminophenyl)methyl]quinoline-5-carboxamide
CID 62849516
N-(2-methylpropoxy)quinoline-4-carboxamide
CID 113304301
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
N-(3-methoxypropyl)quinoline-5-carboxamide
CID 51075711
3-methyl-1-quinolin-5-ylbut-3-en-1-one
CID 105112604
N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
2-(2-methoxyethoxy)-1-quinolin-5-ylethanone
CID 114032521
N-[3-(2-aminoethoxy)propyl]quinoline-5-carboxamide
CID 106307791
N-(4-carbamothioyl-1H-pyrazol-5-yl)quinoline-5-carboxamide
CID 79497381

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide (CID 112550935) is N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide is NC(=O)CONC(=O)c1cccc2ncccc12.
What is the InChIKey of N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide?
The InChIKey is ODNJIZUFKPFQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-11(16)7-18-15-12(17)9-3-1-5-10-8(9)4-2-6-14-10/h1-6H,7H2,(H2,13,16)(H,15,17).
What are the key properties of N-(2-amino-2-oxoethoxy)quinoline-5-carboxamide?
N-(2-amino-2-oxoethoxy)quinoline-5-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-5-carboxamide is sourced from PubChem (CID 112550935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).