1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one

C25H32N2O2 — CID 90654938

IUPAC1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1
InChIInChI=1S/C25H32N2O2/c1-20-12-15-26(16-13-20)14-5-17-29-23-10-8-22-9-11-25(28)27(24(22)18-23)19-21-6-3-2-4-7-21/h2-4,6-8,10,18,20H,5,9,11-17,19H2,1H3
InChIKeyXLOJJSMPIGMHSZ-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.67
Rot. Bonds7

About 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one

1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 90654938) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
PubChem CID90654938
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1
InChIInChI=1S/C25H32N2O2/c1-20-12-15-26(16-13-20)14-5-17-29-23-10-8-22-9-11-25(28)27(24(22)18-23)19-21-6-3-2-4-7-21/h2-4,6-8,10,18,20H,5,9,11-17,19H2,1H3
InChIKeyXLOJJSMPIGMHSZ-UHFFFAOYSA-N
XLogP4.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-(4-((4-(3,4-Dihydro-2-oxo-1(2H)-quinolinyl)-1-piperidinyl)carbonyl)phenoxy)propyl)acetamide
CID 114904
Opc-14523
CID 9892540
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
Ketopiperazine-based inhibitor, 11
CID 11204336
Tetra-hydro-isoquinoline derivative 3
CID 137653313
1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-3,4-dihydroquinolin-2-one
CID 10340555
7-[4-[4-(2-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 10502413
7-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butoxy)-3,4-dihydroquinolin-2(1H)-one
CID 10692886
Tetra-hydro-isoquinoline derivative 2
CID 46829772
Tetra-hydro-isoquinoline derivative 4
CID 137652717
7-[4-[4-(2-Fluorophenyl)-1-piperazinyl]butoxy]-3,4-dihydro-2(1H)-quinolinone
CID 10715828
2-[4-[4-[(1,2,3,4-Tetrahydro-2-oxo-7-quinolinyl)oxy]butyl]-1-piperazinyl]benzonitrile
CID 10763756

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one (CID 90654938) is 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one is CC1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1.
What is the InChIKey of 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is XLOJJSMPIGMHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-20-12-15-26(16-13-20)14-5-17-29-23-10-8-22-9-11-25(28)27(24(22)18-23)19-21-6-3-2-4-7-21/h2-4,6-8,10,18,20H,5,9,11-17,19H2,1H3.
What are the key properties of 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 392.54 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 90654938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).