1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one

C16H21N3O — CID 66900373

IUPAC1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one
SMILESNn1c(=O)c(CCN2CCCCC2)cc2ccccc21
InChIInChI=1S/C16H21N3O/c17-19-15-7-3-2-6-13(15)12-14(16(19)20)8-11-18-9-4-1-5-10-18/h2-3,6-7,12H,1,4-5,8-11,17H2
InChIKeyQYUFWFMDHWKUFE-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.74
Rot. Bonds3

About 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one

1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one (PubChem CID 66900373) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one.

Molecular Properties

Compound Name1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one
PubChem CID66900373
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one
SMILESNn1c(=O)c(CCN2CCCCC2)cc2ccccc21
InChIInChI=1S/C16H21N3O/c17-19-15-7-3-2-6-13(15)12-14(16(19)20)8-11-18-9-4-1-5-10-18/h2-3,6-7,12H,1,4-5,8-11,17H2
InChIKeyQYUFWFMDHWKUFE-UHFFFAOYSA-N
XLogP1.74
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one?
The IUPAC name of 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one (CID 66900373) is 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one.
What is the SMILES notation for 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one?
The canonical SMILES for 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one is Nn1c(=O)c(CCN2CCCCC2)cc2ccccc21.
What is the InChIKey of 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one?
The InChIKey is QYUFWFMDHWKUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-19-15-7-3-2-6-13(15)12-14(16(19)20)8-11-18-9-4-1-5-10-18/h2-3,6-7,12H,1,4-5,8-11,17H2.
What are the key properties of 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one?
1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one has a molecular weight of 271.36 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-piperidin-1-ylethyl)quinolin-2-one is sourced from PubChem (CID 66900373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).