1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone

C16H22N2O2 — CID 82626137

IUPAC1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone
SMILESCCOc1ccc2c(c1)CC1(CCNC1)CN2C(C)=O
InChIInChI=1S/C16H22N2O2/c1-3-20-14-4-5-15-13(8-14)9-16(6-7-17-10-16)11-18(15)12(2)19/h4-5,8,17H,3,6-7,9-11H2,1-2H3
InChIKeyUSLVBXUWFKIWRZ-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.97
Rot. Bonds2

About 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone

1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone (PubChem CID 82626137) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone
PubChem CID82626137
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone
SMILESCCOc1ccc2c(c1)CC1(CCNC1)CN2C(C)=O
InChIInChI=1S/C16H22N2O2/c1-3-20-14-4-5-15-13(8-14)9-16(6-7-17-10-16)11-18(15)12(2)19/h4-5,8,17H,3,6-7,9-11H2,1-2H3
InChIKeyUSLVBXUWFKIWRZ-UHFFFAOYSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone?
The IUPAC name of 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone (CID 82626137) is 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone.
What is the SMILES notation for 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone?
The canonical SMILES for 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone is CCOc1ccc2c(c1)CC1(CCNC1)CN2C(C)=O.
What is the InChIKey of 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone?
The InChIKey is USLVBXUWFKIWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-20-14-4-5-15-13(8-14)9-16(6-7-17-10-16)11-18(15)12(2)19/h4-5,8,17H,3,6-7,9-11H2,1-2H3.
What are the key properties of 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone?
1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone has a molecular weight of 274.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethoxyspiro[2,4-dihydroquinoline-3,3'-pyrrolidine]-1-yl)ethanone is sourced from PubChem (CID 82626137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).