1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate

C22H20N4O3 — CID 54288547

About 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate

1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate (PubChem CID 54288547) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate.

Molecular Properties

• Compound Name: 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate
• PubChem CID: 54288547
• Molecular Formula: C22H20N4O3
• Molecular Weight: 388.43 g/mol
• Exact Mass: 388.15
• IUPAC Name: 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate
• SMILES: CCC(OC(=O)CN)c1cc2n(c(=O)c1C)Cc1cc3cc(C#N)ccc3nc1-2
• InChI: InChI=1S/C22H20N4O3/c1-3-19(29-20(27)10-24)16-8-18-21-15(11-26(18)22(28)12(16)2)7-14-6-13(9-23)4-5-17(14)25-21/h4-8,19H,3,10-11,24H2,1-2H3
• InChIKey: RVWPSIYNXOHDGG-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 111.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.43
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate?

The IUPAC name of 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate (CID 54288547) is 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate.

What is the SMILES notation for 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate?

The canonical SMILES for 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate is CCC(OC(=O)CN)c1cc2n(c(=O)c1C)Cc1cc3cc(C#N)ccc3nc1-2.

What is the InChIKey of 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate?

The InChIKey is RVWPSIYNXOHDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-3-19(29-20(27)10-24)16-8-18-21-15(11-26(18)22(28)12(16)2)7-14-6-13(9-23)4-5-17(14)25-21/h4-8,19H,3,10-11,24H2,1-2H3.

What are the key properties of 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate?

1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate has a molecular weight of 388.43 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate is sourced from PubChem (CID 54288547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).