4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione

C17H12N2O4 — CID 135461959

IUPAC4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione
SMILESCOc1c2c(c(OC)c3n[nH]cc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H12N2O4/c1-22-16-10-7-18-19-13(10)17(23-2)12-11(16)14(20)8-5-3-4-6-9(8)15(12)21/h3-7H,1-2H3,(H,18,19)
InChIKeyIIUBPOIRXGADPD-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.36
Rot. Bonds2

About 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione

4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione (PubChem CID 135461959) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione.

Molecular Properties

Compound Name4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione
PubChem CID135461959
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC Name4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione
SMILESCOc1c2c(c(OC)c3n[nH]cc13)C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H12N2O4/c1-22-16-10-7-18-19-13(10)17(23-2)12-11(16)14(20)8-5-3-4-6-9(8)15(12)21/h3-7H,1-2H3,(H,18,19)
InChIKeyIIUBPOIRXGADPD-UHFFFAOYSA-N
XLogP2.36
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

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CID 102401480
1,2-dimethoxy-3,4-dinitroanthracene-9,10-dione
CID 154085539
2,3-dimethoxynaphthalene-1,4-dione;ethane
CID 144726564
2-(bromomethyl)-3-chloro-1,4-dimethoxyanthracene-9,10-dione
CID 54576987
1-methoxy-2-(2-methylpropyl)anthracene-9,10-dione
CID 10613716
2-methoxy-4-methylsulfanylindeno[1,2-d]pyrimidin-5-one
CID 86165992
5-methoxybenzo[b]fluoren-11-one
CID 10753817
(1-methoxy-9,10-dioxoanthracen-2-yl)methyl-triphenylphosphanium
CID 51056134
1-methoxy-3-phenylindeno[2,1-c]pyridin-9-one
CID 12033898
1-hydroxy-4-methoxy-3-methyl-2-nitroanthracene-9,10-dione
CID 3919311
2-chloro-3-methoxynaphthalene-1,4-dione;2,3-dimethoxynaphthalene-1,4-dione
CID 70468705
3-(2,3-dimethoxyphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106521195

Frequently Asked Questions

What is the IUPAC name of 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione?
The IUPAC name of 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione (CID 135461959) is 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione.
What is the SMILES notation for 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione?
The canonical SMILES for 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione is COc1c2c(c(OC)c3n[nH]cc13)C(=O)c1ccccc1C2=O.
What is the InChIKey of 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione?
The InChIKey is IIUBPOIRXGADPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c1-22-16-10-7-18-19-13(10)17(23-2)12-11(16)14(20)8-5-3-4-6-9(8)15(12)21/h3-7H,1-2H3,(H,18,19).
What are the key properties of 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione?
4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione has a molecular weight of 308.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-dimethoxy-2H-naphtho[2,3-f]indazole-5,10-dione is sourced from PubChem (CID 135461959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).