2-bromo-1-(methylamino)anthracene-9,10-dione

C15H10BrNO2 — CID 19897935

IUPAC2-bromo-1-(methylamino)anthracene-9,10-dione
SMILESCNc1c(Br)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10BrNO2/c1-17-13-11(16)7-6-10-12(13)15(19)9-5-3-2-4-8(9)14(10)18/h2-7,17H,1H3
InChIKeyXPZRLOAGIQPVBC-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.27
Rot. Bonds1

About 2-bromo-1-(methylamino)anthracene-9,10-dione

2-bromo-1-(methylamino)anthracene-9,10-dione (PubChem CID 19897935) has the molecular formula C15H10BrNO2 and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-bromo-1-(methylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name2-bromo-1-(methylamino)anthracene-9,10-dione
PubChem CID19897935
Molecular FormulaC15H10BrNO2
Molecular Weight316.15 g/mol
Exact Mass314.99
IUPAC Name2-bromo-1-(methylamino)anthracene-9,10-dione
SMILESCNc1c(Br)ccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H10BrNO2/c1-17-13-11(16)7-6-10-12(13)15(19)9-5-3-2-4-8(9)14(10)18/h2-7,17H,1H3
InChIKeyXPZRLOAGIQPVBC-UHFFFAOYSA-N
XLogP3.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-amino-3-bromo-1-(methylamino)anthracene-9,10-dione
CID 151786578
1-(methylamino)-9,10-dioxoanthracene-2-sulfonic acid
CID 12622701
2-(1,1,2,2,3,3,3-heptafluoropropyl)-1-(methylamino)anthracene-9,10-dione
CID 15194746
1-bromo-3-chloro-2-(methylamino)anthracene-9,10-dione
CID 154103048
2,4-dihydroxy-1-(methylamino)anthracene-9,10-dione
CID 21419205
N,N'-bis(2-methyl-9,10-dioxoanthracen-1-yl)propanediamide
CID 2749322
3,6-dibromobenzo[a]phenalen-7-one
CID 172800935
2-methyl-N-(2-methyl-9,10-dioxoanthracen-1-yl)propanamide
CID 2752532
N-(2-formyl-9,10-dioxoanthracen-1-yl)acetamide
CID 2749308
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
4-bromobenzo[c]fluoren-7-one
CID 162470570
CID 158261979
CID 158261979

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(methylamino)anthracene-9,10-dione?
The IUPAC name of 2-bromo-1-(methylamino)anthracene-9,10-dione (CID 19897935) is 2-bromo-1-(methylamino)anthracene-9,10-dione.
What is the SMILES notation for 2-bromo-1-(methylamino)anthracene-9,10-dione?
The canonical SMILES for 2-bromo-1-(methylamino)anthracene-9,10-dione is CNc1c(Br)ccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-bromo-1-(methylamino)anthracene-9,10-dione?
The InChIKey is XPZRLOAGIQPVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO2/c1-17-13-11(16)7-6-10-12(13)15(19)9-5-3-2-4-8(9)14(10)18/h2-7,17H,1H3.
What are the key properties of 2-bromo-1-(methylamino)anthracene-9,10-dione?
2-bromo-1-(methylamino)anthracene-9,10-dione has a molecular weight of 316.15 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(methylamino)anthracene-9,10-dione is sourced from PubChem (CID 19897935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).