6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one

C22H28N4O — CID 164611932

IUPAC6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCCCN3CCN(c4ccccn4)CC3)ccc2N1
InChIInChI=1S/C22H28N4O/c27-22-10-8-19-17-18(7-9-20(19)24-22)5-2-4-12-25-13-15-26(16-14-25)21-6-1-3-11-23-21/h1,3,6-7,9,11,17H,2,4-5,8,10,12-16H2,(H,24,27)
InChIKeyNWOBFMIIGQBMFP-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.11
Rot. Bonds6

About 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one

6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 164611932) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID164611932
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(CCCCN3CCN(c4ccccn4)CC3)ccc2N1
InChIInChI=1S/C22H28N4O/c27-22-10-8-19-17-18(7-9-20(19)24-22)5-2-4-12-25-13-15-26(16-14-25)21-6-1-3-11-23-21/h1,3,6-7,9,11,17H,2,4-5,8,10,12-16H2,(H,24,27)
InChIKeyNWOBFMIIGQBMFP-UHFFFAOYSA-N
XLogP3.11
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one (CID 164611932) is 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(CCCCN3CCN(c4ccccn4)CC3)ccc2N1.
What is the InChIKey of 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NWOBFMIIGQBMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c27-22-10-8-19-17-18(7-9-20(19)24-22)5-2-4-12-25-13-15-26(16-14-25)21-6-1-3-11-23-21/h1,3,6-7,9,11,17H,2,4-5,8,10,12-16H2,(H,24,27).
What are the key properties of 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one?
6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 364.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 164611932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).