1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione

C20H22N2O2 — CID 175308247

IUPAC1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione
SMILESCc1ccc2c(c1)C(=O)c1cccc(NCCCN(C)C)c1C2=O
InChIInChI=1S/C20H22N2O2/c1-13-8-9-14-16(12-13)19(23)15-6-4-7-17(18(15)20(14)24)21-10-5-11-22(2)3/h4,6-9,12,21H,5,10-11H2,1-3H3
InChIKeyLTVUSBJSAIMVIQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.13
Rot. Bonds5

About 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione

1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione (PubChem CID 175308247) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione
PubChem CID175308247
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione
SMILESCc1ccc2c(c1)C(=O)c1cccc(NCCCN(C)C)c1C2=O
InChIInChI=1S/C20H22N2O2/c1-13-8-9-14-16(12-13)19(23)15-6-4-7-17(18(15)20(14)24)21-10-5-11-22(2)3/h4,6-9,12,21H,5,10-11H2,1-3H3
InChIKeyLTVUSBJSAIMVIQ-UHFFFAOYSA-N
XLogP3.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-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

1,5-bis[3-(dimethylamino)propylamino]anthracene-9,10-dione;dihydrochloride
CID 131875153
3-[[5-[3-(dimethylamino)propylamino]-9,10-dioxoanthracen-1-yl]amino]propyl-trimethylazanium
CID 135183143
1-[3-(dimethylamino)propylamino]-4-(methylamino)anthracene-9,10-dione;hydrochloride
CID 173149560
4-[3-(dimethylamino)propylamino]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 16721066
3-[[9,10-dioxo-5-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006737
6-chloro-1-(propylamino)anthracene-9,10-dione
CID 21419216
3-[[9,10-dioxo-8-[3-(trimethylazaniumyl)propylamino]anthracen-1-yl]amino]propyl-trimethylazanium
CID 169006734
1-[3-(dimethylamino)propylamino]-9,10-dioxoanthracene-2-carboxylic acid
CID 174984182
1,4-bis[3-(dimethylamino)propylamino]benzo[g]phthalazine-5,10-dione;trihydrochloride
CID 19811416
N'-[2-[[5-[2-(dimethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]ethanimidamide
CID 88981129
N',N'-dimethyl-N-(2-methylphenyl)propane-1,3-diamine
CID 3021697
1-[2-(2-aminoethylamino)ethylamino]anthracene-9,10-dione;platinum(2+);dichloride
CID 3076422

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione?
The IUPAC name of 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione (CID 175308247) is 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione?
The canonical SMILES for 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione is Cc1ccc2c(c1)C(=O)c1cccc(NCCCN(C)C)c1C2=O.
What is the InChIKey of 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione?
The InChIKey is LTVUSBJSAIMVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-8-9-14-16(12-13)19(23)15-6-4-7-17(18(15)20(14)24)21-10-5-11-22(2)3/h4,6-9,12,21H,5,10-11H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione?
1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione has a molecular weight of 322.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propylamino]-6-methylanthracene-9,10-dione is sourced from PubChem (CID 175308247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).