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

C17H27N3O — CID 107912995

IUPAC5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNC1CCCc2c1ccc(=O)n2CCN1CCCC1
InChIInChI=1S/C17H27N3O/c1-2-18-15-6-5-7-16-14(15)8-9-17(21)20(16)13-12-19-10-3-4-11-19/h8-9,15,18H,2-7,10-13H2,1H3
InChIKeyHQRWNDIAOCKJPB-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.93
Rot. Bonds5

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

5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one (PubChem CID 107912995) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one.

Molecular Properties

Compound Name5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
PubChem CID107912995
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one
SMILESCCNC1CCCc2c1ccc(=O)n2CCN1CCCC1
InChIInChI=1S/C17H27N3O/c1-2-18-15-6-5-7-16-14(15)8-9-17(21)20(16)13-12-19-10-3-4-11-19/h8-9,15,18H,2-7,10-13H2,1H3
InChIKeyHQRWNDIAOCKJPB-UHFFFAOYSA-N
XLogP1.93
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The IUPAC name of 5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one (CID 107912995) is 5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one.
What is the SMILES notation for 5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The canonical SMILES for 5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one is CCNC1CCCc2c1ccc(=O)n2CCN1CCCC1.
What is the InChIKey of 5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
The InChIKey is HQRWNDIAOCKJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-18-15-6-5-7-16-14(15)8-9-17(21)20(16)13-12-19-10-3-4-11-19/h8-9,15,18H,2-7,10-13H2,1H3.
What are the key properties of 5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one?
5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one has a molecular weight of 289.42 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-1-(2-pyrrolidin-1-ylethyl)-5,6,7,8-tetrahydroquinolin-2-one is sourced from PubChem (CID 107912995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).