1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione

C20H16N2O4 — CID 4147427

IUPAC1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione
SMILESNC1=CC=C(O)C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)C12
InChIInChI=1S/C20H16N2O4/c21-11-6-8-13(23)17-15(11)19(25)18-14(24)9-7-12(16(18)20(17)26)22-10-4-2-1-3-5-10/h1-9,15,17,22-24H,21H2
InChIKeyPZPYTMCCNSGMNY-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.05
Rot. Bonds2

About 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione

1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione (PubChem CID 4147427) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione.

Molecular Properties

Compound Name1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione
PubChem CID4147427
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione
SMILESNC1=CC=C(O)C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)C12
InChIInChI=1S/C20H16N2O4/c21-11-6-8-13(23)17-15(11)19(25)18-14(24)9-7-12(16(18)20(17)26)22-10-4-2-1-3-5-10/h1-9,15,17,22-24H,21H2
InChIKeyPZPYTMCCNSGMNY-UHFFFAOYSA-N
XLogP3.05
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione?
The IUPAC name of 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione (CID 4147427) is 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione.
What is the SMILES notation for 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione?
The canonical SMILES for 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione is NC1=CC=C(O)C2C(=O)c3c(Nc4ccccc4)ccc(O)c3C(=O)C12.
What is the InChIKey of 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione?
The InChIKey is PZPYTMCCNSGMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c21-11-6-8-13(23)17-15(11)19(25)18-14(24)9-7-12(16(18)20(17)26)22-10-4-2-1-3-5-10/h1-9,15,17,22-24H,21H2.
What are the key properties of 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione?
1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione has a molecular weight of 348.36 g/mol, XLogP of 3.05, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-5-anilino-4,8-dihydroxy-4a,9a-dihydroanthracene-9,10-dione is sourced from PubChem (CID 4147427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).