N-hydroxy-2-isoquinolin-8-yloxypropanamide

C12H12N2O3 — CID 82580468

IUPACN-hydroxy-2-isoquinolin-8-yloxypropanamide
SMILESCC(Oc1cccc2ccncc12)C(=O)NO
InChIInChI=1S/C12H12N2O3/c1-8(12(15)14-16)17-11-4-2-3-9-5-6-13-7-10(9)11/h2-8,16H,1H3,(H,14,15)
InChIKeyQHUUNFMNDWNPNY-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.51
Rot. Bonds3

About N-hydroxy-2-isoquinolin-8-yloxypropanamide

N-hydroxy-2-isoquinolin-8-yloxypropanamide (PubChem CID 82580468) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-hydroxy-2-isoquinolin-8-yloxypropanamide.

Molecular Properties

Compound NameN-hydroxy-2-isoquinolin-8-yloxypropanamide
PubChem CID82580468
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-hydroxy-2-isoquinolin-8-yloxypropanamide
SMILESCC(Oc1cccc2ccncc12)C(=O)NO
InChIInChI=1S/C12H12N2O3/c1-8(12(15)14-16)17-11-4-2-3-9-5-6-13-7-10(9)11/h2-8,16H,1H3,(H,14,15)
InChIKeyQHUUNFMNDWNPNY-UHFFFAOYSA-N
XLogP1.51
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-hydroxy-2-isoquinolin-8-yloxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-isoquinolin-8-yloxypropanoic acid
CID 82580347
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
methyl N-[4-(2-naphthalen-1-yloxypropanoylamino)phenyl]carbamate
CID 119049617
isoquinoline-8-carboxylate
CID 86306452
N-(7-methoxyquinolin-3-yl)-2-naphthalen-1-yloxypropanamide
CID 110279383
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28569351
4-amino-N-isoquinolin-8-yl-2-methylbutanamide
CID 80543976
4-isoquinolin-8-ylbutan-2-one
CID 103144158
(2R)-N-[3-(methoxymethyl)phenyl]-2-naphthalen-1-yloxypropanamide
CID 99840317

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-isoquinolin-8-yloxypropanamide?
The IUPAC name of N-hydroxy-2-isoquinolin-8-yloxypropanamide (CID 82580468) is N-hydroxy-2-isoquinolin-8-yloxypropanamide.
What is the SMILES notation for N-hydroxy-2-isoquinolin-8-yloxypropanamide?
The canonical SMILES for N-hydroxy-2-isoquinolin-8-yloxypropanamide is CC(Oc1cccc2ccncc12)C(=O)NO.
What is the InChIKey of N-hydroxy-2-isoquinolin-8-yloxypropanamide?
The InChIKey is QHUUNFMNDWNPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(12(15)14-16)17-11-4-2-3-9-5-6-13-7-10(9)11/h2-8,16H,1H3,(H,14,15).
What are the key properties of N-hydroxy-2-isoquinolin-8-yloxypropanamide?
N-hydroxy-2-isoquinolin-8-yloxypropanamide has a molecular weight of 232.24 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-isoquinolin-8-yloxypropanamide is sourced from PubChem (CID 82580468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).