2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one

C37H46N4O4 — CID 44603354

About 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one

2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one (PubChem CID 44603354) has the molecular formula C37H46N4O4 and a molecular weight of 610.80 g/mol. Its IUPAC name is 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one.

Molecular Properties

• Compound Name: 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one
• PubChem CID: 44603354
• Molecular Formula: C37H46N4O4
• Molecular Weight: 610.80 g/mol
• Exact Mass: 610.35
• IUPAC Name: 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one
• SMILES: CN(C)CCCOc1ccc(-c2nc3ccc(OCCCN(C)C)cc3c3c2-c2ccc(OCCCN(C)C)cc2C3=O)cc1
• InChI: InChI=1S/C37H46N4O4/c1-39(2)18-7-21-43-27-12-10-26(11-13-27)36-34-30-16-14-28(44-22-8-19-40(3)4)24-31(30)37(42)35(34)32-25-29(15-17-33(32)38-36)45-23-9-20-41(5)6/h10-17,24-25H,7-9,18-23H2,1-6H3
• InChIKey: OLMUFIMVCTWNJM-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 67.37 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.80
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one?

The IUPAC name of 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one (CID 44603354) is 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one.

What is the SMILES notation for 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one?

The canonical SMILES for 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one is CN(C)CCCOc1ccc(-c2nc3ccc(OCCCN(C)C)cc3c3c2-c2ccc(OCCCN(C)C)cc2C3=O)cc1.

What is the InChIKey of 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one?

The InChIKey is OLMUFIMVCTWNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N4O4/c1-39(2)18-7-21-43-27-12-10-26(11-13-27)36-34-30-16-14-28(44-22-8-19-40(3)4)24-31(30)37(42)35(34)32-25-29(15-17-33(32)38-36)45-23-9-20-41(5)6/h10-17,24-25H,7-9,18-23H2,1-6H3.

What are the key properties of 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one?

2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one has a molecular weight of 610.80 g/mol, XLogP of 6.10, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2,9-bis[3-(dimethylamino)propoxy]-6-[4-[3-(dimethylamino)propoxy]phenyl]indeno[1,2-c]quinolin-11-one is sourced from PubChem (CID 44603354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).