2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione

C13H9NO4 — CID 2210746

IUPAC2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc2c3c(cccc13)C(=O)N(O)C2=O
InChIInChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3
InChIKeyJNZJPCRGQNFNFC-UHFFFAOYSA-N
MW243.22 g/mol
LogP1.83
Rot. Bonds1

About 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione

2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione (PubChem CID 2210746) has the molecular formula C13H9NO4 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione
PubChem CID2210746
Molecular FormulaC13H9NO4
Molecular Weight243.22 g/mol
Exact Mass243.05
IUPAC Name2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione
SMILESCOc1ccc2c3c(cccc13)C(=O)N(O)C2=O
InChIInChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3
InChIKeyJNZJPCRGQNFNFC-UHFFFAOYSA-N
XLogP1.83
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-4-methoxy-1,8-naphthalimide
CID 18640
2-(2'-(Dimethylamino)ethyl)-1,2-dihydro-7-ethoxydibenz(de,h)isoquinoline-1,3-dione
CID 10522660
15-[2-(Dimethylamino)ethyl]-10-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10090039
N-hydroxy-4-[(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)methyl]benzamide
CID 167238165
2-(4-methoxybenzyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2939282
Mnbzohwpikxasf-uhfffaoysa-
CID 10593844
Sicdvfqigzixso-uhfffaoysa-
CID 10759138
1-(4-Methoxynaphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 16227018
2-(3,4-dimethoxyphenethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
CID 2906466
Pdvlbqlzhgqwhf-uhfffaoysa-
CID 10831573
Udhzliwnsduwdk-uhfffaoysa-
CID 11793938
N-(2-(Diethylamino)ethyl)-3-methoxy-naphthalimide
CID 54702

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione (CID 2210746) is 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione is COc1ccc2c3c(cccc13)C(=O)N(O)C2=O.
What is the InChIKey of 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is JNZJPCRGQNFNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO4/c1-18-10-6-5-9-11-7(10)3-2-4-8(11)12(15)14(17)13(9)16/h2-6,17H,1H3.
What are the key properties of 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione?
2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 243.22 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-methoxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 2210746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).