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

C17H8ClNO2 — CID 57327642

IUPAC2-chlorobenzo[j]phenanthridine-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1cnc1ccc(Cl)cc21
InChIInChI=1S/C17H8ClNO2/c18-9-5-6-14-12(7-9)15-13(8-19-14)16(20)10-3-1-2-4-11(10)17(15)21/h1-8H
InChIKeyQWGMBMNPELZXCS-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.66
Rot. Bonds

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

2-chlorobenzo[j]phenanthridine-7,12-dione (PubChem CID 57327642) has the molecular formula C17H8ClNO2 and a molecular weight of 293.71 g/mol. Its IUPAC name is 2-chlorobenzo[j]phenanthridine-7,12-dione.

Molecular Properties

Compound Name2-chlorobenzo[j]phenanthridine-7,12-dione
PubChem CID57327642
Molecular FormulaC17H8ClNO2
Molecular Weight293.71 g/mol
Exact Mass293.02
IUPAC Name2-chlorobenzo[j]phenanthridine-7,12-dione
SMILESO=C1c2ccccc2C(=O)c2c1cnc1ccc(Cl)cc21
InChIInChI=1S/C17H8ClNO2/c18-9-5-6-14-12(7-9)15-13(8-19-14)16(20)10-3-1-2-4-11(10)17(15)21/h1-8H
InChIKeyQWGMBMNPELZXCS-UHFFFAOYSA-N
XLogP3.66
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.66
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-chlorobenzo[j]phenanthridine-7,12-dione?
The IUPAC name of 2-chlorobenzo[j]phenanthridine-7,12-dione (CID 57327642) is 2-chlorobenzo[j]phenanthridine-7,12-dione.
What is the SMILES notation for 2-chlorobenzo[j]phenanthridine-7,12-dione?
The canonical SMILES for 2-chlorobenzo[j]phenanthridine-7,12-dione is O=C1c2ccccc2C(=O)c2c1cnc1ccc(Cl)cc21.
What is the InChIKey of 2-chlorobenzo[j]phenanthridine-7,12-dione?
The InChIKey is QWGMBMNPELZXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8ClNO2/c18-9-5-6-14-12(7-9)15-13(8-19-14)16(20)10-3-1-2-4-11(10)17(15)21/h1-8H.
What are the key properties of 2-chlorobenzo[j]phenanthridine-7,12-dione?
2-chlorobenzo[j]phenanthridine-7,12-dione has a molecular weight of 293.71 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzo[j]phenanthridine-7,12-dione is sourced from PubChem (CID 57327642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).