3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one

C15H17N3O — CID 55115356

IUPAC3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one
SMILESCCNC1CCN(c2cnc3ccccc3c2)C1=O
InChIInChI=1S/C15H17N3O/c1-2-16-14-7-8-18(15(14)19)12-9-11-5-3-4-6-13(11)17-10-12/h3-6,9-10,14,16H,2,7-8H2,1H3
InChIKeyIZXGJPOKJCPIGS-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.95
Rot. Bonds3

About 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one

3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one (PubChem CID 55115356) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one
PubChem CID55115356
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one
SMILESCCNC1CCN(c2cnc3ccccc3c2)C1=O
InChIInChI=1S/C15H17N3O/c1-2-16-14-7-8-18(15(14)19)12-9-11-5-3-4-6-13(11)17-10-12/h3-6,9-10,14,16H,2,7-8H2,1H3
InChIKeyIZXGJPOKJCPIGS-UHFFFAOYSA-N
XLogP1.95
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one?
The IUPAC name of 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one (CID 55115356) is 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one?
The canonical SMILES for 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one is CCNC1CCN(c2cnc3ccccc3c2)C1=O.
What is the InChIKey of 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one?
The InChIKey is IZXGJPOKJCPIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-16-14-7-8-18(15(14)19)12-9-11-5-3-4-6-13(11)17-10-12/h3-6,9-10,14,16H,2,7-8H2,1H3.
What are the key properties of 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one?
3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-quinolin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 55115356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).