4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol

C15H16N2O4 — CID 3022338

IUPAC4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol
SMILESCNc1ccc(O)c2c1C(O)c1c(O)ccc(N)c1C2O
InChIInChI=1S/C15H16N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18)4-2-6(16)10(12)14(13)20/h2-5,14-15,17-21H,16H2,1H3
InChIKeyVADNTLNWICTOOR-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.20
Rot. Bonds1

About 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol

4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol (PubChem CID 3022338) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol.

Molecular Properties

Compound Name4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol
PubChem CID3022338
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol
SMILESCNc1ccc(O)c2c1C(O)c1c(O)ccc(N)c1C2O
InChIInChI=1S/C15H16N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18)4-2-6(16)10(12)14(13)20/h2-5,14-15,17-21H,16H2,1H3
InChIKeyVADNTLNWICTOOR-UHFFFAOYSA-N
XLogP1.20
TPSA118.97 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.30
LogP ≤ 51.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

CID 91623333
CID 91623333
CID 91623334
CID 91623334
CID 91623335
CID 91623335
CID 129825303
CID 129825303
CID 3022337
CID 3022337
CID 9543511
CID 9543511
CID 14501078
CID 14501078
CID 18371293
CID 18371293
CID 18371893
CID 18371893
CID 19765248
CID 19765248
CID 19765252
CID 19765252
CID 21421374
CID 21421374

Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol?
The IUPAC name of 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol (CID 3022338) is 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol.
What is the SMILES notation for 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol?
The canonical SMILES for 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol is CNc1ccc(O)c2c1C(O)c1c(O)ccc(N)c1C2O.
What is the InChIKey of 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol?
The InChIKey is VADNTLNWICTOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18)4-2-6(16)10(12)14(13)20/h2-5,14-15,17-21H,16H2,1H3.
What are the key properties of 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol?
4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol has a molecular weight of 288.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(methylamino)-9,10-dihydroanthracene-1,5,9,10-tetrol is sourced from PubChem (CID 3022338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).