8-amino-2,4-dihydro-1H-isoquinolin-3-one

C9H10N2O — CID 124925857

IUPAC8-amino-2,4-dihydro-1H-isoquinolin-3-one
SMILESNc1cccc2c1CNC(=O)C2
InChIInChI=1S/C9H10N2O/c10-8-3-1-2-6-4-9(12)11-5-7(6)8/h1-3H,4-5,10H2,(H,11,12)
InChIKeyDNENDCDWAAGALP-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.44
Rot. Bonds

About 8-amino-2,4-dihydro-1H-isoquinolin-3-one

8-amino-2,4-dihydro-1H-isoquinolin-3-one (PubChem CID 124925857) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 8-amino-2,4-dihydro-1H-isoquinolin-3-one.

Molecular Properties

Compound Name8-amino-2,4-dihydro-1H-isoquinolin-3-one
PubChem CID124925857
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name8-amino-2,4-dihydro-1H-isoquinolin-3-one
SMILESNc1cccc2c1CNC(=O)C2
InChIInChI=1S/C9H10N2O/c10-8-3-1-2-6-4-9(12)11-5-7(6)8/h1-3H,4-5,10H2,(H,11,12)
InChIKeyDNENDCDWAAGALP-UHFFFAOYSA-N
XLogP0.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-dihydro-1H-isoquinolin-3-one;ethane;methane
CID 158727662
9-amino-4,5-dihydro-1,4-benzoxazepin-3-one;ethane
CID 145093037
8-[(3-chloro-2-hydroxypropyl)amino]-2,4-dihydro-1H-isoquinolin-3-one
CID 168640185
5-amino-1-propan-2-yl-3,4-dihydroquinazolin-2-one
CID 57415940
5-amino-1-(1-methylpiperidin-4-yl)-3,4-dihydroquinazolin-2-one
CID 172598819
dimethyl (E)-2-[(3-oxo-2,4-dihydro-1H-isoquinolin-8-yl)amino]but-2-enedioate
CID 168567484
1-amino-5,11-dihydrobenzo[c][1]benzazepin-6-one
CID 67943327
3-oxo-2,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 135742200
5-amino-3,3-dimethyl-2,4-dihydroisoquinolin-1-one
CID 134828373
6-imino-7,8-dihydro-5H-naphthalen-1-amine
CID 57238586
8-amino-1,1-dioxo-3,4-dihydro-1λ6,4-benzothiazin-2-one
CID 115095914
3-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidine-2,4-dione
CID 114523973

Frequently Asked Questions

What is the IUPAC name of 8-amino-2,4-dihydro-1H-isoquinolin-3-one?
The IUPAC name of 8-amino-2,4-dihydro-1H-isoquinolin-3-one (CID 124925857) is 8-amino-2,4-dihydro-1H-isoquinolin-3-one.
What is the SMILES notation for 8-amino-2,4-dihydro-1H-isoquinolin-3-one?
The canonical SMILES for 8-amino-2,4-dihydro-1H-isoquinolin-3-one is Nc1cccc2c1CNC(=O)C2.
What is the InChIKey of 8-amino-2,4-dihydro-1H-isoquinolin-3-one?
The InChIKey is DNENDCDWAAGALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-8-3-1-2-6-4-9(12)11-5-7(6)8/h1-3H,4-5,10H2,(H,11,12).
What are the key properties of 8-amino-2,4-dihydro-1H-isoquinolin-3-one?
8-amino-2,4-dihydro-1H-isoquinolin-3-one has a molecular weight of 162.19 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2,4-dihydro-1H-isoquinolin-3-one is sourced from PubChem (CID 124925857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).