1-(1-aminoethylamino)anthracene-9,10-dione

C16H14N2O2 — CID 150877100

IUPAC1-(1-aminoethylamino)anthracene-9,10-dione
SMILESCC(N)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14N2O2/c1-9(17)18-13-8-4-7-12-14(13)16(20)11-6-3-2-5-10(11)15(12)19/h2-9,18H,17H2,1H3
InChIKeyKVFMUGYRGCXRMZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.18
Rot. Bonds2

About 1-(1-aminoethylamino)anthracene-9,10-dione

1-(1-aminoethylamino)anthracene-9,10-dione (PubChem CID 150877100) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1-aminoethylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1-(1-aminoethylamino)anthracene-9,10-dione
PubChem CID150877100
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(1-aminoethylamino)anthracene-9,10-dione
SMILESCC(N)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14N2O2/c1-9(17)18-13-8-4-7-12-14(13)16(20)11-6-3-2-5-10(11)15(12)19/h2-9,18H,17H2,1H3
InChIKeyKVFMUGYRGCXRMZ-UHFFFAOYSA-N
XLogP2.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.18
H-Bond Donors ≤ 52
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-(1-aminoethylamino)anthracene-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

1,4-bis(1-aminoethylamino)anthracene-9,10-dione
CID 68952236
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
1-[[1-(2-chlorophenyl)-2-methylpropyl]amino]anthracene-9,10-dione
CID 54458097
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091
1,8-bis[1-(diethylamino)ethylamino]anthracene-9,10-dione
CID 140512517
6-amino-1-(methylamino)anthracene-9,10-dione
CID 154343227
methyl 2-[(9,10-dioxoanthracen-1-yl)carbamoylamino]-3-methylbutanoate
CID 4839814
2-[(9,10-dioxoanthracen-1-yl)amino]but-3-enoic acid
CID 139606526
N-(9,10-dioxoanthracen-1-yl)-9,10-dioxoanthracene-1-carboxamide
CID 3343697
1-(2,2,2-trifluoroethylamino)anthracene-9,10-dione
CID 154105166

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminoethylamino)anthracene-9,10-dione?
The IUPAC name of 1-(1-aminoethylamino)anthracene-9,10-dione (CID 150877100) is 1-(1-aminoethylamino)anthracene-9,10-dione.
What is the SMILES notation for 1-(1-aminoethylamino)anthracene-9,10-dione?
The canonical SMILES for 1-(1-aminoethylamino)anthracene-9,10-dione is CC(N)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1-(1-aminoethylamino)anthracene-9,10-dione?
The InChIKey is KVFMUGYRGCXRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-9(17)18-13-8-4-7-12-14(13)16(20)11-6-3-2-5-10(11)15(12)19/h2-9,18H,17H2,1H3.
What are the key properties of 1-(1-aminoethylamino)anthracene-9,10-dione?
1-(1-aminoethylamino)anthracene-9,10-dione has a molecular weight of 266.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminoethylamino)anthracene-9,10-dione is sourced from PubChem (CID 150877100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).