8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione

C18H13NO4 — CID 11994857

IUPAC8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione
SMILESCc1nc2c(c3c1C(=O)c1c(O)cccc1C3=O)C(=O)CCC2
InChIInChI=1S/C18H13NO4/c1-8-13-16(15-10(19-8)5-3-7-12(15)21)17(22)9-4-2-6-11(20)14(9)18(13)23/h2,4,6,20H,3,5,7H2,1H3
InChIKeyFIZONXIEVPEKNX-UHFFFAOYSA-N
MW307.30 g/mol
LogP2.39
Rot. Bonds

About 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione

8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione (PubChem CID 11994857) has the molecular formula C18H13NO4 and a molecular weight of 307.30 g/mol. Its IUPAC name is 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione.

Molecular Properties

Compound Name8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione
PubChem CID11994857
Molecular FormulaC18H13NO4
Molecular Weight307.30 g/mol
Exact Mass307.08
IUPAC Name8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione
SMILESCc1nc2c(c3c1C(=O)c1c(O)cccc1C3=O)C(=O)CCC2
InChIInChI=1S/C18H13NO4/c1-8-13-16(15-10(19-8)5-3-7-12(15)21)17(22)9-4-2-6-11(20)14(9)18(13)23/h2,4,6,20H,3,5,7H2,1H3
InChIKeyFIZONXIEVPEKNX-UHFFFAOYSA-N
XLogP2.39
TPSA84.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione?
The IUPAC name of 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione (CID 11994857) is 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione.
What is the SMILES notation for 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione?
The canonical SMILES for 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione is Cc1nc2c(c3c1C(=O)c1c(O)cccc1C3=O)C(=O)CCC2.
What is the InChIKey of 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione?
The InChIKey is FIZONXIEVPEKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4/c1-8-13-16(15-10(19-8)5-3-7-12(15)21)17(22)9-4-2-6-11(20)14(9)18(13)23/h2,4,6,20H,3,5,7H2,1H3.
What are the key properties of 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione?
8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione has a molecular weight of 307.30 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-6-methyl-3,4-dihydro-2H-benzo[j]phenanthridine-1,7,12-trione is sourced from PubChem (CID 11994857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).