7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione

C20H13NO5 — CID 10569653

IUPAC7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione
SMILESCOc1cc(-c2ccccc2)nc2c1C(=O)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C20H13NO5/c1-26-15-9-13(10-5-3-2-4-6-10)21-18-17(15)19(24)12-7-11(22)8-14(23)16(12)20(18)25/h2-9,22-23H,1H3
InChIKeyPECDPXOAOIJWBV-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.94
Rot. Bonds2

About 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione

7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione (PubChem CID 10569653) has the molecular formula C20H13NO5 and a molecular weight of 347.33 g/mol. Its IUPAC name is 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione.

Molecular Properties

Compound Name7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione
PubChem CID10569653
Molecular FormulaC20H13NO5
Molecular Weight347.33 g/mol
Exact Mass347.08
IUPAC Name7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione
SMILESCOc1cc(-c2ccccc2)nc2c1C(=O)c1cc(O)cc(O)c1C2=O
InChIInChI=1S/C20H13NO5/c1-26-15-9-13(10-5-3-2-4-6-10)21-18-17(15)19(24)12-7-11(22)8-14(23)16(12)20(18)25/h2-9,22-23H,1H3
InChIKeyPECDPXOAOIJWBV-UHFFFAOYSA-N
XLogP2.94
TPSA96.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dihydroxy-3-methoxy-2-phenylnaphthalene-1,4-dione
CID 163003257
1,3-dihydroxy-6-methoxy-7-methylanthracene-9,10-dione
CID 162876842
3,5-dimethoxy-2-(4-phenyl-1,3-thiazol-2-yl)phenol
CID 136785678
1,3,5-trihydroxyanthracene-9,10-dione
CID 11265324
1-methoxy-3-phenylindeno[2,1-c]pyridin-9-one
CID 12033898
5,7-dihydroxy-2-methoxynaphthalene-1,4-dione
CID 71713819
3-methoxy-4-(3-methylbut-3-enyl)-5-phenylphenol
CID 18546454
8-hydroxy-1,3-dimethoxyanthracene-9,10-dione
CID 158328422
1-(hydroxymethyl)-2,4-dimethoxyanthracene-9,10-dione
CID 86099558
8-hydroxy-6-methoxybenzo[f][2]benzofuran-4,9-dione
CID 70686001
[(2S)-1-(4,7-dihydroxy-5-methoxy-9,10-dioxoanthracen-2-yl)propan-2-yl] acetate
CID 170990389
1-(2-methoxynaphthalen-1-yl)-3-phenyl-5,6-dihydrocyclopenta[c]pyridin-7-one
CID 177402488

Frequently Asked Questions

What is the IUPAC name of 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione?
The IUPAC name of 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione (CID 10569653) is 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione.
What is the SMILES notation for 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione?
The canonical SMILES for 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione is COc1cc(-c2ccccc2)nc2c1C(=O)c1cc(O)cc(O)c1C2=O.
What is the InChIKey of 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione?
The InChIKey is PECDPXOAOIJWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO5/c1-26-15-9-13(10-5-3-2-4-6-10)21-18-17(15)19(24)12-7-11(22)8-14(23)16(12)20(18)25/h2-9,22-23H,1H3.
What are the key properties of 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione?
7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione has a molecular weight of 347.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dihydroxy-4-methoxy-2-phenylbenzo[g]quinoline-5,10-dione is sourced from PubChem (CID 10569653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).