6-(benzylideneamino)-2H-isoquinolin-1-one

C16H12N2O — CID 155234049

IUPAC6-(benzylideneamino)-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(/N=C/c3ccccc3)ccc12
InChIInChI=1S/C16H12N2O/c19-16-15-7-6-14(10-13(15)8-9-17-16)18-11-12-4-2-1-3-5-12/h1-11H,(H,17,19)/b18-11+
InChIKeyQPFMYQNEEAXLHI-WOJGMQOQSA-N
MW248.28 g/mol
LogP3.28
Rot. Bonds2

About 6-(benzylideneamino)-2H-isoquinolin-1-one

6-(benzylideneamino)-2H-isoquinolin-1-one (PubChem CID 155234049) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is 6-(benzylideneamino)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-(benzylideneamino)-2H-isoquinolin-1-one
PubChem CID155234049
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name6-(benzylideneamino)-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2cc(/N=C/c3ccccc3)ccc12
InChIInChI=1S/C16H12N2O/c19-16-15-7-6-14(10-13(15)8-9-17-16)18-11-12-4-2-1-3-5-12/h1-11H,(H,17,19)/b18-11+
InChIKeyQPFMYQNEEAXLHI-WOJGMQOQSA-N
XLogP3.28
TPSA45.22 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1H-indol-6-yl)-1-phenylmethanimine
CID 19058648
1-oxo-2H-isoquinoline-6-carboxylic acid
CID 58252554
N,1-diphenylmethanimine
CID 10858
1-(3-bromophenyl)-N-(1H-indol-6-yl)methanimine
CID 19058683
1-phenyl-N-[4-(4-phenylphenyl)phenyl]methanimine
CID 101426517
(1-oxo-2H-isoquinolin-6-yl)boronic acid
CID 77230319
6-(dimethylamino)-2H-isoquinolin-1-one
CID 57424142
7-(benzylideneamino)-2-methyl-3-(2-methylphenyl)quinazolin-4-one
CID 57399195
methane;6-methoxy-2H-isoquinolin-1-one
CID 143675508
2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
CID 68873416
N-[4-[4-(benzylideneamino)phenyl]sulfanylphenyl]-1-phenylmethanimine
CID 633778
1-oxo-2H-isoquinoline-6-sulfonamide;hydrochloride
CID 162122522

Frequently Asked Questions

What is the IUPAC name of 6-(benzylideneamino)-2H-isoquinolin-1-one?
The IUPAC name of 6-(benzylideneamino)-2H-isoquinolin-1-one (CID 155234049) is 6-(benzylideneamino)-2H-isoquinolin-1-one.
What is the SMILES notation for 6-(benzylideneamino)-2H-isoquinolin-1-one?
The canonical SMILES for 6-(benzylideneamino)-2H-isoquinolin-1-one is O=c1[nH]ccc2cc(/N=C/c3ccccc3)ccc12.
What is the InChIKey of 6-(benzylideneamino)-2H-isoquinolin-1-one?
The InChIKey is QPFMYQNEEAXLHI-WOJGMQOQSA-N. The full InChI is InChI=1S/C16H12N2O/c19-16-15-7-6-14(10-13(15)8-9-17-16)18-11-12-4-2-1-3-5-12/h1-11H,(H,17,19)/b18-11+.
What are the key properties of 6-(benzylideneamino)-2H-isoquinolin-1-one?
6-(benzylideneamino)-2H-isoquinolin-1-one has a molecular weight of 248.28 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylideneamino)-2H-isoquinolin-1-one is sourced from PubChem (CID 155234049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).