4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione

C15H10Br2N2O4 — CID 14007994

IUPAC4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione
SMILESCNc1cc(Br)c(O)c2c1C(=O)c1c(N)cc(Br)c(O)c1C2=O
InChIInChI=1S/C15H10Br2N2O4/c1-19-7-3-5(17)13(21)11-9(7)14(22)8-6(18)2-4(16)12(20)10(8)15(11)23/h2-3,19-21H,18H2,1H3
InChIKeySKKLXZJRYFJOHG-UHFFFAOYSA-N
MW442.06 g/mol
LogP3.02
Rot. Bonds1

About 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione

4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione (PubChem CID 14007994) has the molecular formula C15H10Br2N2O4 and a molecular weight of 442.06 g/mol. Its IUPAC name is 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione
PubChem CID14007994
Molecular FormulaC15H10Br2N2O4
Molecular Weight442.06 g/mol
Exact Mass439.90
IUPAC Name4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione
SMILESCNc1cc(Br)c(O)c2c1C(=O)c1c(N)cc(Br)c(O)c1C2=O
InChIInChI=1S/C15H10Br2N2O4/c1-19-7-3-5(17)13(21)11-9(7)14(22)8-6(18)2-4(16)12(20)10(8)15(11)23/h2-3,19-21H,18H2,1H3
InChIKeySKKLXZJRYFJOHG-UHFFFAOYSA-N
XLogP3.02
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.06
LogP ≤ 53.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)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

1,5-dihydroxy-4,8-bis(methylamino)-9,10-dioxoanthracene-2,6-disulfonic acid
CID 3014950
CID 131882672
CID 131882672
4,8-diamino-6-bromo-2-[3-(dimethylamino)phenyl]imino-5-hydroxynaphthalen-1-one
CID 135984924
1-hydroxy-5,8-dimethyl-4-(methylamino)anthracene-9,10-dione
CID 59917634
4-amino-2,6-dibromo-3-(1-hydroxyethyl)phenol
CID 19767394
ethyl 5-amino-2-bromo-4-(methylamino)benzoate
CID 156537860
2-amino-4,6-dibromophenol;hydrochloride
CID 3063405
4-amino-2-bromo-5-(methylamino)benzonitrile
CID 66685238
2-amino-6-bromo-4-ethylsulfonylphenol
CID 118467654
4,8-diamino-1,5-dihydroxy-2,6-bis(phenylsulfanyl)anthracene-9,10-dione
CID 163939420
2-[(5-amino-4,8-dihydroxy-9,10-dioxoanthracen-1-yl)amino]acetonitrile
CID 58070739
1-amino-4-(methylamino)-9,10-dioxoanthracene-2-sulfonic acid
CID 3904435

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione?
The IUPAC name of 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione (CID 14007994) is 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione.
What is the SMILES notation for 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione?
The canonical SMILES for 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione is CNc1cc(Br)c(O)c2c1C(=O)c1c(N)cc(Br)c(O)c1C2=O.
What is the InChIKey of 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione?
The InChIKey is SKKLXZJRYFJOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O4/c1-19-7-3-5(17)13(21)11-9(7)14(22)8-6(18)2-4(16)12(20)10(8)15(11)23/h2-3,19-21H,18H2,1H3.
What are the key properties of 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione?
4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione has a molecular weight of 442.06 g/mol, XLogP of 3.02, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,7-dibromo-1,8-dihydroxy-5-(methylamino)anthracene-9,10-dione is sourced from PubChem (CID 14007994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).