6-amino-1-(methylamino)anthracene-9,10-dione

C15H12N2O2 — CID 154343227

IUPAC6-amino-1-(methylamino)anthracene-9,10-dione
SMILESCNc1cccc2c1C(=O)c1ccc(N)cc1C2=O
InChIInChI=1S/C15H12N2O2/c1-17-12-4-2-3-10-13(12)15(19)9-6-5-8(16)7-11(9)14(10)18/h2-7,17H,16H2,1H3
InChIKeyPUQHQFZCFUFRDX-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.09
Rot. Bonds1

About 6-amino-1-(methylamino)anthracene-9,10-dione

6-amino-1-(methylamino)anthracene-9,10-dione (PubChem CID 154343227) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-amino-1-(methylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name6-amino-1-(methylamino)anthracene-9,10-dione
PubChem CID154343227
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name6-amino-1-(methylamino)anthracene-9,10-dione
SMILESCNc1cccc2c1C(=O)c1ccc(N)cc1C2=O
InChIInChI=1S/C15H12N2O2/c1-17-12-4-2-3-10-13(12)15(19)9-6-5-8(16)7-11(9)14(10)18/h2-7,17H,16H2,1H3
InChIKeyPUQHQFZCFUFRDX-UHFFFAOYSA-N
XLogP2.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.09
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-chloro-1-(methylamino)anthracene-9,10-dione
CID 71399366
1-(1-aminoethylamino)anthracene-9,10-dione
CID 150877100
2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide
CID 151800903
2-aminoanthracene-9,10-dione;1-methylpyrrole-2,5-dione
CID 159383507
1-[(5-amino-9,10-dioxoanthracen-1-yl)amino]-4-[(9,10-dioxoanthracen-1-yl)amino]anthracene-9,10-dione
CID 6165091
2-[(9,10-dioxoanthracen-1-yl)amino]ethyl-dimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium bromide
CID 162327953
6-chloro-1-(propylamino)anthracene-9,10-dione
CID 21419216
1-amino-7-methylsulfanylanthracene-9,10-dione
CID 154170210
3-amino-1-methylanthracene-9,10-dione
CID 15716485
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
(9,10-dioxoanthracen-1-yl)thiourea
CID 82030669
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(methylamino)anthracene-9,10-dione?
The IUPAC name of 6-amino-1-(methylamino)anthracene-9,10-dione (CID 154343227) is 6-amino-1-(methylamino)anthracene-9,10-dione.
What is the SMILES notation for 6-amino-1-(methylamino)anthracene-9,10-dione?
The canonical SMILES for 6-amino-1-(methylamino)anthracene-9,10-dione is CNc1cccc2c1C(=O)c1ccc(N)cc1C2=O.
What is the InChIKey of 6-amino-1-(methylamino)anthracene-9,10-dione?
The InChIKey is PUQHQFZCFUFRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-17-12-4-2-3-10-13(12)15(19)9-6-5-8(16)7-11(9)14(10)18/h2-7,17H,16H2,1H3.
What are the key properties of 6-amino-1-(methylamino)anthracene-9,10-dione?
6-amino-1-(methylamino)anthracene-9,10-dione has a molecular weight of 252.27 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(methylamino)anthracene-9,10-dione is sourced from PubChem (CID 154343227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).