2-methylbenzo[j]phenanthridine-7,12-dione

C18H11NO2 — CID 57328334

IUPAC2-methylbenzo[j]phenanthridine-7,12-dione
SMILESCc1ccc2ncc3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C18H11NO2/c1-10-6-7-15-13(8-10)16-14(9-19-15)17(20)11-4-2-3-5-12(11)18(16)21/h2-9H,1H3
InChIKeyBPGXUVJBXNTNDA-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.32
Rot. Bonds

About 2-methylbenzo[j]phenanthridine-7,12-dione

2-methylbenzo[j]phenanthridine-7,12-dione (PubChem CID 57328334) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-methylbenzo[j]phenanthridine-7,12-dione.

Molecular Properties

Compound Name2-methylbenzo[j]phenanthridine-7,12-dione
PubChem CID57328334
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name2-methylbenzo[j]phenanthridine-7,12-dione
SMILESCc1ccc2ncc3c(c2c1)C(=O)c1ccccc1C3=O
InChIInChI=1S/C18H11NO2/c1-10-6-7-15-13(8-10)16-14(9-19-15)17(20)11-4-2-3-5-12(11)18(16)21/h2-9H,1H3
InChIKeyBPGXUVJBXNTNDA-UHFFFAOYSA-N
XLogP3.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-methylbenzo[j]phenanthridine-7,12-dione?
The IUPAC name of 2-methylbenzo[j]phenanthridine-7,12-dione (CID 57328334) is 2-methylbenzo[j]phenanthridine-7,12-dione.
What is the SMILES notation for 2-methylbenzo[j]phenanthridine-7,12-dione?
The canonical SMILES for 2-methylbenzo[j]phenanthridine-7,12-dione is Cc1ccc2ncc3c(c2c1)C(=O)c1ccccc1C3=O.
What is the InChIKey of 2-methylbenzo[j]phenanthridine-7,12-dione?
The InChIKey is BPGXUVJBXNTNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c1-10-6-7-15-13(8-10)16-14(9-19-15)17(20)11-4-2-3-5-12(11)18(16)21/h2-9H,1H3.
What are the key properties of 2-methylbenzo[j]phenanthridine-7,12-dione?
2-methylbenzo[j]phenanthridine-7,12-dione has a molecular weight of 273.29 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[j]phenanthridine-7,12-dione is sourced from PubChem (CID 57328334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).