7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one

C25H30N2O2 — CID 3060993

IUPAC7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C25H30N2O2/c1-19-16-25(28)26-24-18-22(8-9-23(19)24)29-15-5-12-27-13-10-21(11-14-27)17-20-6-3-2-4-7-20/h2-4,6-9,16,18,21H,5,10-15,17H2,1H3,(H,26,28)
InChIKeyZVIURFHDXIMZNQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.56
Rot. Bonds7

About 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one

7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one (PubChem CID 3060993) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one
PubChem CID3060993
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one
SMILESCc1cc(=O)[nH]c2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc12
InChIInChI=1S/C25H30N2O2/c1-19-16-25(28)26-24-18-22(8-9-23(19)24)29-15-5-12-27-13-10-21(11-14-27)17-20-6-3-2-4-7-20/h2-4,6-9,16,18,21H,5,10-15,17H2,1H3,(H,26,28)
InChIKeyZVIURFHDXIMZNQ-UHFFFAOYSA-N
XLogP4.56
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one?
The IUPAC name of 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one (CID 3060993) is 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one is Cc1cc(=O)[nH]c2cc(OCCCN3CCC(Cc4ccccc4)CC3)ccc12.
What is the InChIKey of 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one?
The InChIKey is ZVIURFHDXIMZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-19-16-25(28)26-24-18-22(8-9-23(19)24)29-15-5-12-27-13-10-21(11-14-27)17-20-6-3-2-4-7-20/h2-4,6-9,16,18,21H,5,10-15,17H2,1H3,(H,26,28).
What are the key properties of 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one?
7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one has a molecular weight of 390.53 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-benzylpiperidin-1-yl)propoxy]-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 3060993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).