2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one

C32H32N2O4 — CID 11145629

About 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one

2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one (PubChem CID 11145629) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one.

Molecular Properties

• Compound Name: 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one
• PubChem CID: 11145629
• Molecular Formula: C32H32N2O4
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.24
• IUPAC Name: 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one
• SMILES: COc1ccc2c(ccc3c4ccc(OC)cc4c(=O)n(-c4ccc(OCCN5CCCCC5)cc4)c23)c1
• InChI: InChI=1S/C32H32N2O4/c1-36-25-11-14-27-22(20-25)6-13-29-28-15-12-26(37-2)21-30(28)32(35)34(31(27)29)23-7-9-24(10-8-23)38-19-18-33-16-4-3-5-17-33/h6-15,20-21H,3-5,16-19H2,1-2H3
• InChIKey: RUZSFBLIXUTCTP-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 52.93 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one?

The IUPAC name of 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one (CID 11145629) is 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one.

What is the SMILES notation for 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one?

The canonical SMILES for 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one is COc1ccc2c(ccc3c4ccc(OC)cc4c(=O)n(-c4ccc(OCCN5CCCCC5)cc4)c23)c1.

What is the InChIKey of 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one?

The InChIKey is RUZSFBLIXUTCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-36-25-11-14-27-22(20-25)6-13-29-28-15-12-26(37-2)21-30(28)32(35)34(31(27)29)23-7-9-24(10-8-23)38-19-18-33-16-4-3-5-17-33/h6-15,20-21H,3-5,16-19H2,1-2H3.

What are the key properties of 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one?

2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one has a molecular weight of 508.62 g/mol, XLogP of 6.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,8-dimethoxy-5-[4-(2-piperidin-1-ylethoxy)phenyl]benzo[c]phenanthridin-6-one is sourced from PubChem (CID 11145629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).