5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one

C16H25N3O — CID 107912994

IUPAC5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCN1CCCC1
InChIInChI=1S/C16H25N3O/c1-17-14-5-4-6-15-13(14)7-8-16(20)19(15)12-11-18-9-2-3-10-18/h7-8,14,17H,2-6,9-12H2,1H3
InChIKeyLSKLTAIRHQTZMK-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.54
Rot. Bonds4

About 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one

5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 107912994) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID107912994
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCNC1CCCc2c1ccc(=O)n2CCN1CCCC1
InChIInChI=1S/C16H25N3O/c1-17-14-5-4-6-15-13(14)7-8-16(20)19(15)12-11-18-9-2-3-10-18/h7-8,14,17H,2-6,9-12H2,1H3
InChIKeyLSKLTAIRHQTZMK-UHFFFAOYSA-N
XLogP1.54
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 107912994) is 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one is CNC1CCCc2c1ccc(=O)n2CCN1CCCC1.
What is the InChIKey of 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is LSKLTAIRHQTZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-14-5-4-6-15-13(14)7-8-16(20)19(15)12-11-18-9-2-3-10-18/h7-8,14,17H,2-6,9-12H2,1H3.
What are the key properties of 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 275.40 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 107912994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).