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

C21H26N4O2 — CID 164619236

IUPAC6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc2N1
InChIInChI=1S/C21H26N4O2/c26-21-8-5-17-16-18(6-7-19(17)23-21)27-15-3-10-24-11-13-25(14-12-24)20-4-1-2-9-22-20/h1-2,4,6-7,9,16H,3,5,8,10-15H2,(H,23,26)
InChIKeyNBSPIYLVJWAETB-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.56
Rot. Bonds6

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

6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 164619236) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID164619236
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc2N1
InChIInChI=1S/C21H26N4O2/c26-21-8-5-17-16-18(6-7-19(17)23-21)27-15-3-10-24-11-13-25(14-12-24)20-4-1-2-9-22-20/h1-2,4,6-7,9,16H,3,5,8,10-15H2,(H,23,26)
InChIKeyNBSPIYLVJWAETB-UHFFFAOYSA-N
XLogP2.56
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one (CID 164619236) is 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(OCCCN3CCN(c4ccccn4)CC3)ccc2N1.
What is the InChIKey of 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NBSPIYLVJWAETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c26-21-8-5-17-16-18(6-7-19(17)23-21)27-15-3-10-24-11-13-25(14-12-24)20-4-1-2-9-22-20/h1-2,4,6-7,9,16H,3,5,8,10-15H2,(H,23,26).
What are the key properties of 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 366.47 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 164619236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).