3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide

C16H19N3O — CID 63139330

IUPAC3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cnc3ccccc3c2)CCNC1
InChIInChI=1S/C16H19N3O/c1-2-16(7-8-17-11-16)15(20)19-13-9-12-5-3-4-6-14(12)18-10-13/h3-6,9-10,17H,2,7-8,11H2,1H3,(H,19,20)
InChIKeyLTXWNJHZYBJVTM-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.56
Rot. Bonds3

About 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide

3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide (PubChem CID 63139330) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide
PubChem CID63139330
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2cnc3ccccc3c2)CCNC1
InChIInChI=1S/C16H19N3O/c1-2-16(7-8-17-11-16)15(20)19-13-9-12-5-3-4-6-14(12)18-10-13/h3-6,9-10,17H,2,7-8,11H2,1H3,(H,19,20)
InChIKeyLTXWNJHZYBJVTM-UHFFFAOYSA-N
XLogP2.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide (CID 63139330) is 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2cnc3ccccc3c2)CCNC1.
What is the InChIKey of 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is LTXWNJHZYBJVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-16(7-8-17-11-16)15(20)19-13-9-12-5-3-4-6-14(12)18-10-13/h3-6,9-10,17H,2,7-8,11H2,1H3,(H,19,20).
What are the key properties of 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide?
3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-quinolin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).