1,4-bis(methylamino)anthracene-9,10-dione

C16H14N2O2 — CID 17189

IUPAC1,4-bis(methylamino)anthracene-9,10-dione
SMILESCNc1ccc(NC)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-8,17-18H,1-2H3
InChIKeyQOSTVEDABRQTSU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.55
Rot. Bonds2

About 1,4-bis(methylamino)anthracene-9,10-dione

1,4-bis(methylamino)anthracene-9,10-dione (PubChem CID 17189) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1,4-bis(methylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name1,4-bis(methylamino)anthracene-9,10-dione
PubChem CID17189
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1,4-bis(methylamino)anthracene-9,10-dione
SMILESCNc1ccc(NC)c2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C16H14N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-8,17-18H,1-2H3
InChIKeyQOSTVEDABRQTSU-UHFFFAOYSA-N
XLogP2.55
TPSA58.20 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 ≤ 52.55
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'}

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Related Compounds

Disperse Blue 1
CID 17190
Disperse Violet 1
CID 31420
1-Amino-2-methylanthraquinone
CID 6702
C.I. Disperse Blue 3
CID 17191
1,5-Diaminoanthraquinone
CID 8513
Cyanine Green G Base
CID 31416
1-Aminoanthraquinone
CID 6710
1,4-Bis((1-methylethyl)amino)-9,10-anthracenedione
CID 61719
C.I. Solvent Blue 35
CID 3766139
Ametantrone
CID 2134
Solvent Red 111
CID 6706
1,4-Bis((2-hydroxyethyl)amino)anthraquinone
CID 20549

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(methylamino)anthracene-9,10-dione?
The IUPAC name of 1,4-bis(methylamino)anthracene-9,10-dione (CID 17189) is 1,4-bis(methylamino)anthracene-9,10-dione.
What is the SMILES notation for 1,4-bis(methylamino)anthracene-9,10-dione?
The canonical SMILES for 1,4-bis(methylamino)anthracene-9,10-dione is CNc1ccc(NC)c2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 1,4-bis(methylamino)anthracene-9,10-dione?
The InChIKey is QOSTVEDABRQTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-17-11-7-8-12(18-2)14-13(11)15(19)9-5-3-4-6-10(9)16(14)20/h3-8,17-18H,1-2H3.
What are the key properties of 1,4-bis(methylamino)anthracene-9,10-dione?
1,4-bis(methylamino)anthracene-9,10-dione has a molecular weight of 266.30 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(methylamino)anthracene-9,10-dione is sourced from PubChem (CID 17189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).