5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione

C18H11NO4 — CID 135703653

IUPAC5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione
SMILESCc1ccnc2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O
InChIInChI=1S/C18H11NO4/c1-8-6-7-19-14-11(8)17(22)12-13(18(14)23)16(21)10-5-3-2-4-9(10)15(12)20/h2-7,22-23H,1H3
InChIKeySYTXZXCIHAHJQO-UHFFFAOYSA-N
MW305.29 g/mol
LogP2.73
Rot. Bonds

About 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione

5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione (PubChem CID 135703653) has the molecular formula C18H11NO4 and a molecular weight of 305.29 g/mol. Its IUPAC name is 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione.

Molecular Properties

Compound Name5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione
PubChem CID135703653
Molecular FormulaC18H11NO4
Molecular Weight305.29 g/mol
Exact Mass305.07
IUPAC Name5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione
SMILESCc1ccnc2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O
InChIInChI=1S/C18H11NO4/c1-8-6-7-19-14-11(8)17(22)12-13(18(14)23)16(21)10-5-3-2-4-9(10)15(12)20/h2-7,22-23H,1H3
InChIKeySYTXZXCIHAHJQO-UHFFFAOYSA-N
XLogP2.73
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-hydroxy-4-methylindeno[1,2-b]pyridin-5-one
CID 135753482
9-hydroxy-4-methylbenzo[g]quinoline-5,10-dione
CID 14176769
2,3-diamino-1,4-dihydroxyanthracene-9,10-dione
CID 15840020
1-bromo-4-hydroxy-2,3-dimethylanthracene-9,10-dione
CID 5182448
1,3-dimethylbenzo[f][2]benzoselenole-4,9-dione
CID 153490221
4,5,6,7-tetramethyl-1,10-phenanthroline
CID 67115643
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
6,11-dihydroxy-8,9-bis(methylsulfanyl)tetracene-5,12-dione
CID 70940434
1,2,3-trihydroxyanthracene-9,10-dione
CID 11768
6-hydroxy-5-[(3S)-4,4,4-trifluoro-3-hydroxybutan-2-yl]oxynaphtho[2,3-f]quinoline-7,12-dione
CID 142008672
5-(2-fluoro-3,4,5-trihydroxyhexoxy)-6-hydroxynaphtho[2,3-f]quinoline-7,12-dione
CID 142008657
4-methylbenzo[g]isoquinoline-5,10-dione
CID 73350960

Frequently Asked Questions

What is the IUPAC name of 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione?
The IUPAC name of 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione (CID 135703653) is 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione.
What is the SMILES notation for 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione?
The canonical SMILES for 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione is Cc1ccnc2c(O)c3c(c(O)c12)C(=O)c1ccccc1C3=O.
What is the InChIKey of 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione?
The InChIKey is SYTXZXCIHAHJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO4/c1-8-6-7-19-14-11(8)17(22)12-13(18(14)23)16(21)10-5-3-2-4-9(10)15(12)20/h2-7,22-23H,1H3.
What are the key properties of 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione?
5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione has a molecular weight of 305.29 g/mol, XLogP of 2.73, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,12-dihydroxy-4-methylnaphtho[2,3-g]quinoline-6,11-dione is sourced from PubChem (CID 135703653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).