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

C22H20N4O3 — CID 54288547

IUPAC1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate
SMILESCCC(OC(=O)CN)c1cc2n(c(=O)c1C)Cc1cc3cc(C#N)ccc3nc1-2
InChIInChI=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
InChIKeyRVWPSIYNXOHDGG-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.56
Rot. Bonds4

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 Name1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate
PubChem CID54288547
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name1-(2-cyano-8-methyl-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl)propyl 2-aminoacetate
SMILESCCC(OC(=O)CN)c1cc2n(c(=O)c1C)Cc1cc3cc(C#N)ccc3nc1-2
InChIInChI=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
InChIKeyRVWPSIYNXOHDGG-UHFFFAOYSA-N
XLogP2.56
TPSA111.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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).