7-chloro-1-(methylamino)anthracene-9,10-dione

C15H10ClNO2 — CID 71399366

IUPAC7-chloro-1-(methylamino)anthracene-9,10-dione
SMILESCNc1cccc2c1C(=O)c1cc(Cl)ccc1C2=O
InChIInChI=1S/C15H10ClNO2/c1-17-12-4-2-3-10-13(12)15(19)11-7-8(16)5-6-9(11)14(10)18/h2-7,17H,1H3
InChIKeyWEALJLQXRMIVCU-UHFFFAOYSA-N
MW271.70 g/mol
LogP3.16
Rot. Bonds1

About 7-chloro-1-(methylamino)anthracene-9,10-dione

7-chloro-1-(methylamino)anthracene-9,10-dione (PubChem CID 71399366) has the molecular formula C15H10ClNO2 and a molecular weight of 271.70 g/mol. Its IUPAC name is 7-chloro-1-(methylamino)anthracene-9,10-dione.

Molecular Properties

Compound Name7-chloro-1-(methylamino)anthracene-9,10-dione
PubChem CID71399366
Molecular FormulaC15H10ClNO2
Molecular Weight271.70 g/mol
Exact Mass271.04
IUPAC Name7-chloro-1-(methylamino)anthracene-9,10-dione
SMILESCNc1cccc2c1C(=O)c1cc(Cl)ccc1C2=O
InChIInChI=1S/C15H10ClNO2/c1-17-12-4-2-3-10-13(12)15(19)11-7-8(16)5-6-9(11)14(10)18/h2-7,17H,1H3
InChIKeyWEALJLQXRMIVCU-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.70
LogP ≤ 53.16
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

6-chloro-1-(propylamino)anthracene-9,10-dione
CID 21419216
6-amino-1-(methylamino)anthracene-9,10-dione
CID 154343227
6-chloro-1-(cyclohexylamino)anthracene-9,10-dione
CID 71399363
anthracene-9,10-dione;1-chloroanthracene-9,10-dione;2-chloroanthracene-9,10-dione;ethane;2-methylanthracene-9,10-dione
CID 174912168
1-bromo-7-chlorofluoren-9-one
CID 132938805
2-(methylamino)-N-[6-(methylamino)-9,10-dioxoanthracen-1-yl]acetamide
CID 151800903
6-chloro-9-oxofluorene-1-carboxylic acid
CID 18725229
3-chlorophenanthrene-9,10-dione
CID 67151037
1-(1-aminoethylamino)anthracene-9,10-dione
CID 150877100
3,6-dichlorophenanthrene-9,10-dione
CID 15371518
2-[(9,10-dioxoanthracen-1-yl)amino]ethyl-dimethyl-[3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]azanium bromide
CID 162327953
1-[[1-(2-chlorophenyl)-2-methylpropyl]amino]anthracene-9,10-dione
CID 54458097

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(methylamino)anthracene-9,10-dione?
The IUPAC name of 7-chloro-1-(methylamino)anthracene-9,10-dione (CID 71399366) is 7-chloro-1-(methylamino)anthracene-9,10-dione.
What is the SMILES notation for 7-chloro-1-(methylamino)anthracene-9,10-dione?
The canonical SMILES for 7-chloro-1-(methylamino)anthracene-9,10-dione is CNc1cccc2c1C(=O)c1cc(Cl)ccc1C2=O.
What is the InChIKey of 7-chloro-1-(methylamino)anthracene-9,10-dione?
The InChIKey is WEALJLQXRMIVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO2/c1-17-12-4-2-3-10-13(12)15(19)11-7-8(16)5-6-9(11)14(10)18/h2-7,17H,1H3.
What are the key properties of 7-chloro-1-(methylamino)anthracene-9,10-dione?
7-chloro-1-(methylamino)anthracene-9,10-dione has a molecular weight of 271.70 g/mol, XLogP of 3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(methylamino)anthracene-9,10-dione is sourced from PubChem (CID 71399366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).