2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione

C24H19NO6 — CID 25112029

IUPAC2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(N)=CC3=O)C2=O
InChIInChI=1S/C24H19NO6/c1-10-5-13-20(18(6-10)30-3)17(27)8-14(22(13)28)19-11(2)7-12-16(26)9-15(25)23(29)21(12)24(19)31-4/h5-9H,25H2,1-4H3
InChIKeyOJUOCWOXTDOHQP-UHFFFAOYSA-N
MW417.42 g/mol
LogP3.00
Rot. Bonds3

About 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione

2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione (PubChem CID 25112029) has the molecular formula C24H19NO6 and a molecular weight of 417.42 g/mol. Its IUPAC name is 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
PubChem CID25112029
Molecular FormulaC24H19NO6
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Name2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
SMILESCOc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(N)=CC3=O)C2=O
InChIInChI=1S/C24H19NO6/c1-10-5-13-20(18(6-10)30-3)17(27)8-14(22(13)28)19-11(2)7-12-16(26)9-15(25)23(29)21(12)24(19)31-4/h5-9H,25H2,1-4H3
InChIKeyOJUOCWOXTDOHQP-UHFFFAOYSA-N
XLogP3.00
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxo-2-naphthyl)-6-methyl-1,4-dioxo-2-naphthyl]acetamide
CID 501494
Diospyrin, dimethyl ether
CID 10341035
3-Amino-2-(7-amino-1-methoxy-3-methyl-5,8-dioxonaphthalen-2-yl)-5-methoxy-7-methylnaphthalene-1,4-dione
CID 25111917
5-Ethoxy-6-(5-ethoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione
CID 16202252
Ethyl 2-[[8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methyl-1,4-dioxonaphthalen-2-yl]amino]acetate
CID 25111916
2-(Benzylamino)-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
CID 25111919
8-Ethoxy-7-(5-ethoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-2-(2-hydroxyethylamino)-6-methylnaphthalene-1,4-dione
CID 44428739
2-(2-Hydroxyethylamino)-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione
CID 23635168
5-Methoxy-6-(8-methoxy-6-methyl-1,4-dioxonaphthalen-2-yl)-7-methylnaphthalene-1,4-dione
CID 162656564
2-Amino-3-(4-methoxyphenyl)naphthalene-1,4-dione
CID 56932094
5-Methoxy-7-(methoxymethyl)-2-(methylamino)naphthalene-1,4-dione
CID 44392342
7-[(E)-4-hydroxybut-2-enyl]-6-[hydroxy(phenyl)methyl]-5-methoxy-2-(methylamino)naphthalene-1,4-dione
CID 44392371

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione?
The IUPAC name of 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione (CID 25112029) is 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione.
What is the SMILES notation for 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione?
The canonical SMILES for 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione is COc1cc(C)cc2c1C(=O)C=C(c1c(C)cc3c(c1OC)C(=O)C(N)=CC3=O)C2=O.
What is the InChIKey of 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione?
The InChIKey is OJUOCWOXTDOHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6/c1-10-5-13-20(18(6-10)30-3)17(27)8-14(22(13)28)19-11(2)7-12-16(26)9-15(25)23(29)21(12)24(19)31-4/h5-9H,25H2,1-4H3.
What are the key properties of 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione?
2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione has a molecular weight of 417.42 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methoxy-7-(5-methoxy-7-methyl-1,4-dioxonaphthalen-2-yl)-6-methylnaphthalene-1,4-dione is sourced from PubChem (CID 25112029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).