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

C24H28N2O3 — CID 90654939

IUPAC1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
SMILESO=C1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1
InChIInChI=1S/C24H28N2O3/c27-21-11-14-25(15-12-21)13-4-16-29-22-9-7-20-8-10-24(28)26(23(20)17-22)18-19-5-2-1-3-6-19/h1-3,5-7,9,17H,4,8,10-16,18H2
InChIKeyIJZXJTGPJNQOAU-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.60
Rot. Bonds7

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

1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 90654939) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
PubChem CID90654939
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
SMILESO=C1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1
InChIInChI=1S/C24H28N2O3/c27-21-11-14-25(15-12-21)13-4-16-29-22-9-7-20-8-10-24(28)26(23(20)17-22)18-19-5-2-1-3-6-19/h1-3,5-7,9,17H,4,8,10-16,18H2
InChIKeyIJZXJTGPJNQOAU-UHFFFAOYSA-N
XLogP3.60
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
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
1-[(4-Fluorophenyl)methyl]-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
CID 86299850
7-[4-[4-(2-chloro-3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 155535057

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one (CID 90654939) is 1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one is O=C1CCN(CCCOc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1.
What is the InChIKey of 1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is IJZXJTGPJNQOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c27-21-11-14-25(15-12-21)13-4-16-29-22-9-7-20-8-10-24(28)26(23(20)17-22)18-19-5-2-1-3-6-19/h1-3,5-7,9,17H,4,8,10-16,18H2.
What are the key properties of 1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 392.50 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[3-(4-oxopiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 90654939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).