10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

C23H28N2O7 — CID 130195011

About 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide

10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (PubChem CID 130195011) has the molecular formula C23H28N2O7 and a molecular weight of 444.48 g/mol. Its IUPAC name is 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.

Molecular Properties

• Compound Name: 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
• PubChem CID: 130195011
• Molecular Formula: C23H28N2O7
• Molecular Weight: 444.48 g/mol
• Exact Mass: 444.19
• IUPAC Name: 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide
• SMILES: COCCCOc1cc2c(cc1O)-c1cc(=O)c(C(=O)N=O)cn1C(C(C)(C)COC)C2
• InChI: InChI=1S/C23H28N2O7/c1-23(2,13-31-4)21-9-14-8-20(32-7-5-6-30-3)19(27)10-15(14)17-11-18(26)16(12-25(17)21)22(28)24-29/h8,10-12,21,27H,5-7,9,13H2,1-4H3
• InChIKey: GGMALWMZMHDUGY-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 116.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.48
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
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 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?

The IUPAC name of 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide (CID 130195011) is 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide.

What is the SMILES notation for 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?

The canonical SMILES for 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is COCCCOc1cc2c(cc1O)-c1cc(=O)c(C(=O)N=O)cn1C(C(C)(C)COC)C2.

What is the InChIKey of 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?

The InChIKey is GGMALWMZMHDUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7/c1-23(2,13-31-4)21-9-14-8-20(32-7-5-6-30-3)19(27)10-15(14)17-11-18(26)16(12-25(17)21)22(28)24-29/h8,10-12,21,27H,5-7,9,13H2,1-4H3.

What are the key properties of 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide?

10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide has a molecular weight of 444.48 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-hydroxy-6-(1-methoxy-2-methylpropan-2-yl)-9-(3-methoxypropoxy)-N,2-dioxo-6,7-dihydrobenzo[a]quinolizine-3-carboxamide is sourced from PubChem (CID 130195011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).