N-isoquinolin-3-ylhydroxylamine

C9H8N2O — CID 119089500

IUPACN-isoquinolin-3-ylhydroxylamine
SMILESONc1cc2ccccc2cn1
InChIInChI=1S/C9H8N2O/c12-11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6,12H,(H,10,11)
InChIKeyPKKSNGVVRQLSMP-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.04
Rot. Bonds1

About N-isoquinolin-3-ylhydroxylamine

N-isoquinolin-3-ylhydroxylamine (PubChem CID 119089500) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is N-isoquinolin-3-ylhydroxylamine.

Molecular Properties

Compound NameN-isoquinolin-3-ylhydroxylamine
PubChem CID119089500
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC NameN-isoquinolin-3-ylhydroxylamine
SMILESONc1cc2ccccc2cn1
InChIInChI=1S/C9H8N2O/c12-11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6,12H,(H,10,11)
InChIKeyPKKSNGVVRQLSMP-UHFFFAOYSA-N
XLogP2.04
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-isoquinolin-3-ylhydroxylamine 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

N-methylisoquinolin-3-amine
CID 24976745
N-(2,3,4,5,6-pentafluorophenyl)isoquinolin-3-amine
CID 137471576
2-chloro-N-isoquinolin-3-ylbenzamide
CID 5237288
N-(benzylideneamino)isoquinolin-3-amine
CID 85439372
N-isoquinolin-3-yl-2-methoxy-2-methylbutanamide
CID 138013916
diethyl 2-[(isoquinolin-3-ylamino)methylidene]propanedioate
CID 617775
1-(4-chloro-6-methylpyrimidin-2-yl)-3-isoquinolin-3-ylurea
CID 134284665
isoquinoline-3-carboxylic acid;rhenium
CID 59015469
N-quinolin-3-ylhydroxylamine
CID 54286324
ethane;isoquinolin-3-ylphosphane
CID 167500281
ethane;methyl isoquinoline-3-carboxylate
CID 123724655
[2-(isoquinolin-3-ylamino)-1-naphthalen-1-yl-2-oxoethyl]phosphonic acid
CID 25264648

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-3-ylhydroxylamine?
The IUPAC name of N-isoquinolin-3-ylhydroxylamine (CID 119089500) is N-isoquinolin-3-ylhydroxylamine.
What is the SMILES notation for N-isoquinolin-3-ylhydroxylamine?
The canonical SMILES for N-isoquinolin-3-ylhydroxylamine is ONc1cc2ccccc2cn1.
What is the InChIKey of N-isoquinolin-3-ylhydroxylamine?
The InChIKey is PKKSNGVVRQLSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-11-9-5-7-3-1-2-4-8(7)6-10-9/h1-6,12H,(H,10,11).
What are the key properties of N-isoquinolin-3-ylhydroxylamine?
N-isoquinolin-3-ylhydroxylamine has a molecular weight of 160.18 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-3-ylhydroxylamine is sourced from PubChem (CID 119089500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).