N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide

C14H16N4O2 — CID 76951107

IUPACN-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H16N4O2/c1-2-18(9-13(15)17-20)14(19)11-5-6-12-10(8-11)4-3-7-16-12/h3-8,20H,2,9H2,1H3,(H2,15,17)
InChIKeyDYQUCAYZNFAWNE-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.44
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide (PubChem CID 76951107) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
PubChem CID76951107
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
SMILESCCN(CC(N)=NO)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H16N4O2/c1-2-18(9-13(15)17-20)14(19)11-5-6-12-10(8-11)4-3-7-16-12/h3-8,20H,2,9H2,1H3,(H2,15,17)
InChIKeyDYQUCAYZNFAWNE-UHFFFAOYSA-N
XLogP1.44
TPSA91.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
CID 62849704
N-(2-amino-2-hydroxyiminoethyl)-N-ethylnaphthalene-2-carboxamide
CID 76929403
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylquinoline-6-carboxamide
CID 76987444
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-6-methylpyridine-3-carboxamide
CID 76929152
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-3-iodobenzamide
CID 76929197
N-(2-amino-2-hydroxyiminoethyl)-N-ethyl-1,3-benzodioxole-5-carboxamide
CID 76929458
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 91762656
N'-hydroxyquinoline-6-carboximidamide
CID 59214181
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-4-fluoro-3-methoxybenzamide
CID 81284884
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylquinoline-6-carboxamide
CID 63223594
N-(1-amino-1-hydroxyiminopentan-2-yl)quinoline-6-carboxamide
CID 76975230
N-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide (CID 76951107) is N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide is CCN(CC(N)=NO)C(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide?
The InChIKey is DYQUCAYZNFAWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-2-18(9-13(15)17-20)14(19)11-5-6-12-10(8-11)4-3-7-16-12/h3-8,20H,2,9H2,1H3,(H2,15,17).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.44, 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-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide is sourced from PubChem (CID 76951107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).