5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione

C15H18N2O4 — CID 142711879

IUPAC5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione
SMILESCNCCNC1=CC(=O)c2c(OC)ccc(OC)c2C1=O
InChIInChI=1S/C15H18N2O4/c1-16-6-7-17-9-8-10(18)13-11(20-2)4-5-12(21-3)14(13)15(9)19/h4-5,8,16-17H,6-7H2,1-3H3
InChIKeyNOWPGQJZLFTNAF-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.78
Rot. Bonds6

About 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione

5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione (PubChem CID 142711879) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione.

Molecular Properties

Compound Name5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione
PubChem CID142711879
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione
SMILESCNCCNC1=CC(=O)c2c(OC)ccc(OC)c2C1=O
InChIInChI=1S/C15H18N2O4/c1-16-6-7-17-9-8-10(18)13-11(20-2)4-5-12(21-3)14(13)15(9)19/h4-5,8,16-17H,6-7H2,1-3H3
InChIKeyNOWPGQJZLFTNAF-UHFFFAOYSA-N
XLogP0.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione 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

2-(ethylamino)-5,8-dimethoxynaphthalene-1,4-dione
CID 67425404
2-[2-(2-hydroxyethoxy)ethylamino]-5,8-dimethoxynaphthalene-1,4-dione
CID 142711941
2-(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)-5,8-dimethoxynaphthalene-1,4-dione
CID 634823
2-(1-hydroxybutan-2-ylamino)-5,8-dimethoxynaphthalene-1,4-dione
CID 72547559
2-ethylsulfanyl-5,8-dimethoxynaphthalene-1,4-dione
CID 57410783
5,8-dimethoxy-2-propanoylnaphthalene-1,4-dione
CID 10636032
1-[4-[(5,8-dimethoxy-1,4-dioxonaphthalen-2-yl)methylamino]phenyl]-N-methylmethanesulfonamide
CID 142711927
2-butylsulfanyl-5,8-dimethoxynaphthalene-1,4-dione
CID 142691059
5,8-dimethoxy-2-[methylidene(2-oxopropyl)-λ4-sulfanyl]naphthalene-1,4-dione
CID 58055871
2-heptanoyl-5,8-dimethoxynaphthalene-1,4-dione
CID 10496652
2-bromo-5,8-dimethoxy-3-methylnaphthalene-1,4-dione
CID 628531
N-[2-[(4-methoxy-9,10-dioxoanthracen-1-yl)amino]ethyl]acetamide
CID 13380581

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione?
The IUPAC name of 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione (CID 142711879) is 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione.
What is the SMILES notation for 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione?
The canonical SMILES for 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione is CNCCNC1=CC(=O)c2c(OC)ccc(OC)c2C1=O.
What is the InChIKey of 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione?
The InChIKey is NOWPGQJZLFTNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-6-7-17-9-8-10(18)13-11(20-2)4-5-12(21-3)14(13)15(9)19/h4-5,8,16-17H,6-7H2,1-3H3.
What are the key properties of 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione?
5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione has a molecular weight of 290.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxy-2-[2-(methylamino)ethylamino]naphthalene-1,4-dione is sourced from PubChem (CID 142711879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).