9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one

C16H11NO4 — CID 46865695

IUPAC9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c3ccc(OCO)cc3oc2c2ccccc12
InChIInChI=1S/C16H11NO4/c18-8-20-9-5-6-12-13(7-9)21-15-10-3-1-2-4-11(10)16(19)17-14(12)15/h1-7,18H,8H2,(H,17,19)
InChIKeyXMFVPLFSTZQMGQ-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.76
Rot. Bonds2

About 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one

9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one (PubChem CID 46865695) has the molecular formula C16H11NO4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one
PubChem CID46865695
Molecular FormulaC16H11NO4
Molecular Weight281.27 g/mol
Exact Mass281.07
IUPAC Name9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one
SMILESO=c1[nH]c2c3ccc(OCO)cc3oc2c2ccccc12
InChIInChI=1S/C16H11NO4/c18-8-20-9-5-6-12-13(7-9)21-15-10-3-1-2-4-11(10)16(19)17-14(12)15/h1-7,18H,8H2,(H,17,19)
InChIKeyXMFVPLFSTZQMGQ-UHFFFAOYSA-N
XLogP2.76
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one 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

acetic acid;bis(6H-[1]benzofuro[3,2-c]isoquinolin-5-one);5,9-dimethyl-[1]benzofuro[3,2-c]isoquinoline;ethane;9-methyl-6H-[1]benzofuro[3,2-c]isoquinolin-5-one;hydrochloride
CID 160517382
8-methoxy-3-methyl-5H-[1]benzofuro[3,2-b]quinolin-11-one
CID 118101187
2-(6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 782946
7-bromo-10H-[1]benzofuro[3,2-b]indole
CID 162350952
ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate
CID 10777524
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
3-(2-chloroprop-2-enoxy)benzo[c]chromen-6-one
CID 806874
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
7-(2,2-diethoxyethoxy)-1,3-benzoxazine-2,4-dione
CID 59680689
3-(3-iodopropoxy)xanthen-9-one
CID 10643472
3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one
CID 139644069
8-oxo-5H-[1]benzofuro[3,2-b]quinoline-11-carboxylate
CID 7213260

Frequently Asked Questions

What is the IUPAC name of 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one?
The IUPAC name of 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one (CID 46865695) is 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one.
What is the SMILES notation for 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one?
The canonical SMILES for 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one is O=c1[nH]c2c3ccc(OCO)cc3oc2c2ccccc12.
What is the InChIKey of 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one?
The InChIKey is XMFVPLFSTZQMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO4/c18-8-20-9-5-6-12-13(7-9)21-15-10-3-1-2-4-11(10)16(19)17-14(12)15/h1-7,18H,8H2,(H,17,19).
What are the key properties of 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one?
9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one has a molecular weight of 281.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(hydroxymethoxy)-6H-[1]benzofuro[3,2-c]isoquinolin-5-one is sourced from PubChem (CID 46865695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).