2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide

C23H24N4O6 — CID 168986491

About 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide

2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide (PubChem CID 168986491) has the molecular formula C23H24N4O6 and a molecular weight of 452.47 g/mol. Its IUPAC name is 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide
• PubChem CID: 168986491
• Molecular Formula: C23H24N4O6
• Molecular Weight: 452.47 g/mol
• Exact Mass: 452.17
• IUPAC Name: 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide
• SMILES: COCc1c(C(O)C=O)cc2n(c1=O)Cc1c-2nc2ccc(OC)cc2c1CNC(=O)CN
• InChI: InChI=1S/C23H24N4O6/c1-32-11-17-14(20(29)10-28)6-19-22-16(9-27(19)23(17)31)15(8-25-21(30)7-24)13-5-12(33-2)3-4-18(13)26-22/h3-6,10,20,29H,7-9,11,24H2,1-2H3,(H,25,30)
• InChIKey: OPPFWVJYAILMKK-UHFFFAOYSA-N
• XLogP: 0.39
• TPSA: 145.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.47
LogP ≤ 5	0.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide?

The IUPAC name of 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide (CID 168986491) is 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide.

What is the SMILES notation for 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide?

The canonical SMILES for 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide is COCc1c(C(O)C=O)cc2n(c1=O)Cc1c-2nc2ccc(OC)cc2c1CNC(=O)CN.

What is the InChIKey of 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide?

The InChIKey is OPPFWVJYAILMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O6/c1-32-11-17-14(20(29)10-28)6-19-22-16(9-27(19)23(17)31)15(8-25-21(30)7-24)13-5-12(33-2)3-4-18(13)26-22/h3-6,10,20,29H,7-9,11,24H2,1-2H3,(H,25,30).

What are the key properties of 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide?

2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide has a molecular weight of 452.47 g/mol, XLogP of 0.39, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[[7-(1-hydroxy-2-oxoethyl)-2-methoxy-8-(methoxymethyl)-9-oxo-11H-indolizino[1,2-b]quinolin-12-yl]methyl]acetamide is sourced from PubChem (CID 168986491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).