10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

C30H35NO6 — CID 159549723

About 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one

10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 159549723) has the molecular formula C30H35NO6 and a molecular weight of 505.61 g/mol. Its IUPAC name is 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

• Compound Name: 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one
• PubChem CID: 159549723
• Molecular Formula: C30H35NO6
• Molecular Weight: 505.61 g/mol
• Exact Mass: 505.25
• IUPAC Name: 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one
• SMILES: COCCCOc1cc2c(cc1OCC(=O)c1ccc(OC)cc1)-c1cc(=O)c(C)cn1C(C(C)C)C2
• InChI: InChI=1S/C30H35NO6/c1-19(2)25-13-22-14-29(36-12-6-11-34-4)30(15-24(22)26-16-27(32)20(3)17-31(25)26)37-18-28(33)21-7-9-23(35-5)10-8-21/h7-10,14-17,19,25H,6,11-13,18H2,1-5H3
• InChIKey: ACZUXXQDDDHYJQ-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 75.99 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.61
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one?

The IUPAC name of 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one (CID 159549723) is 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one.

What is the SMILES notation for 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one?

The canonical SMILES for 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one is COCCCOc1cc2c(cc1OCC(=O)c1ccc(OC)cc1)-c1cc(=O)c(C)cn1C(C(C)C)C2.

What is the InChIKey of 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one?

The InChIKey is ACZUXXQDDDHYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35NO6/c1-19(2)25-13-22-14-29(36-12-6-11-34-4)30(15-24(22)26-16-27(32)20(3)17-31(25)26)37-18-28(33)21-7-9-23(35-5)10-8-21/h7-10,14-17,19,25H,6,11-13,18H2,1-5H3.

What are the key properties of 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one?

10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 505.61 g/mol, XLogP of 5.26, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-(4-methoxyphenyl)-2-oxoethoxy]-9-(3-methoxypropoxy)-3-methyl-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 159549723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).