ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite

C26H31N2O7P — CID 144515875

About ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite

ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite (PubChem CID 144515875) has the molecular formula C26H31N2O7P and a molecular weight of 514.52 g/mol. Its IUPAC name is ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite.

Molecular Properties

• Compound Name: ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite
• PubChem CID: 144515875
• Molecular Formula: C26H31N2O7P
• Molecular Weight: 514.52 g/mol
• Exact Mass: 514.19
• IUPAC Name: ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite
• SMILES: CC.COCc1c(C(C=O)OP(O)OCC2CCCO2)cc2n(c1=O)Cc1cc3ccccc3nc1-2
• InChI: InChI=1S/C24H25N2O7P.C2H6/c1-30-14-19-18(22(12-27)33-34(29)32-13-17-6-4-8-31-17)10-21-23-16(11-26(21)24(19)28)9-15-5-2-3-7-20(15)25-23;1-2/h2-3,5,7,9-10,12,17,22,29H,4,6,8,11,13-14H2,1H3;1-2H3
• InChIKey: GLWSKINBIJLCRW-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 109.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.52
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite?

The IUPAC name of ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite (CID 144515875) is ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite.

What is the SMILES notation for ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite?

The canonical SMILES for ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite is CC.COCc1c(C(C=O)OP(O)OCC2CCCO2)cc2n(c1=O)Cc1cc3ccccc3nc1-2.

What is the InChIKey of ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite?

The InChIKey is GLWSKINBIJLCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N2O7P.C2H6/c1-30-14-19-18(22(12-27)33-34(29)32-13-17-6-4-8-31-17)10-21-23-16(11-26(21)24(19)28)9-15-5-2-3-7-20(15)25-23;1-2/h2-3,5,7,9-10,12,17,22,29H,4,6,8,11,13-14H2,1H3;1-2H3.

What are the key properties of ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite?

ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite has a molecular weight of 514.52 g/mol, XLogP of 4.27, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;[1-[8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]-2-oxoethyl] oxolan-2-ylmethyl hydrogen phosphite is sourced from PubChem (CID 144515875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).