2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide

C11H15N3O2 — CID 112672973

IUPAC2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide
SMILESNC(=O)CONC1CCCc2cccnc21
InChIInChI=1S/C11H15N3O2/c12-10(15)7-16-14-9-5-1-3-8-4-2-6-13-11(8)9/h2,4,6,9,14H,1,3,5,7H2,(H2,12,15)
InChIKeyBUJCLYBSBGDGNG-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.47
Rot. Bonds4

About 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide

2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide (PubChem CID 112672973) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide.

Molecular Properties

Compound Name2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide
PubChem CID112672973
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide
SMILESNC(=O)CONC1CCCc2cccnc21
InChIInChI=1S/C11H15N3O2/c12-10(15)7-16-14-9-5-1-3-8-4-2-6-13-11(8)9/h2,4,6,9,14H,1,3,5,7H2,(H2,12,15)
InChIKeyBUJCLYBSBGDGNG-UHFFFAOYSA-N
XLogP0.47
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.47
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-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]propanamide
CID 165447452
N-fluoro-5,6,7,8-tetrahydroquinolin-8-amine
CID 145471491
(8S)-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 58985331
N-(cyclopentylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079348
2-(6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl)acetamide
CID 141070718
N-[[4-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 71026047
N-(2-methylprop-2-enyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 114615760
2-methyl-1-(5,6,7,8-tetrahydroquinolin-8-ylamino)propan-2-ol
CID 79078513
tert-butyl N-[2-(5,6,7,8-tetrahydroquinolin-8-ylamino)ethyl]carbamate
CID 86621567
2-oxo-2-(5,6,7,8-tetrahydroquinolin-8-yl)acetic acid
CID 130855424
N-prop-2-ynyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 79079711
5-(5,6,7,8-tetrahydroquinolin-8-ylamino)pentan-1-ol
CID 107316747

Frequently Asked Questions

What is the IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide?
The IUPAC name of 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide (CID 112672973) is 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide.
What is the SMILES notation for 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide?
The canonical SMILES for 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide is NC(=O)CONC1CCCc2cccnc21.
What is the InChIKey of 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide?
The InChIKey is BUJCLYBSBGDGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c12-10(15)7-16-14-9-5-1-3-8-4-2-6-13-11(8)9/h2,4,6,9,14H,1,3,5,7H2,(H2,12,15).
What are the key properties of 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide?
2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide has a molecular weight of 221.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6,7,8-tetrahydroquinolin-8-ylamino)oxyacetamide is sourced from PubChem (CID 112672973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).