4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione

C17H17NO3 — CID 129065883

IUPAC4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione
SMILESCC(C)NC1CC=C(O)C2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H17NO3/c1-9(2)18-12-7-8-13(19)15-14(12)16(20)10-5-3-4-6-11(10)17(15)21/h3-6,8-9,12,18-19H,7H2,1-2H3
InChIKeyUDDKTGHRRZQGNG-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.57
Rot. Bonds2

About 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione

4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione (PubChem CID 129065883) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione.

Molecular Properties

Compound Name4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione
PubChem CID129065883
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione
SMILESCC(C)NC1CC=C(O)C2=C1C(=O)c1ccccc1C2=O
InChIInChI=1S/C17H17NO3/c1-9(2)18-12-7-8-13(19)15-14(12)16(20)10-5-3-4-6-11(10)17(15)21/h3-6,8-9,12,18-19H,7H2,1-2H3
InChIKeyUDDKTGHRRZQGNG-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione?
The IUPAC name of 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione (CID 129065883) is 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione.
What is the SMILES notation for 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione?
The canonical SMILES for 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione is CC(C)NC1CC=C(O)C2=C1C(=O)c1ccccc1C2=O.
What is the InChIKey of 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione?
The InChIKey is UDDKTGHRRZQGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-9(2)18-12-7-8-13(19)15-14(12)16(20)10-5-3-4-6-11(10)17(15)21/h3-6,8-9,12,18-19H,7H2,1-2H3.
What are the key properties of 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione?
4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione has a molecular weight of 283.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(propan-2-ylamino)-1,2-dihydroanthracene-9,10-dione is sourced from PubChem (CID 129065883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).