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

C19H28N2O2 — CID 86301785

IUPAC1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC1CCN(CCCOc2ccc3c(c2)N(C)C(=O)CC3)CC1
InChIInChI=1S/C19H28N2O2/c1-15-8-11-21(12-9-15)10-3-13-23-17-6-4-16-5-7-19(22)20(2)18(16)14-17/h4,6,14-15H,3,5,7-13H2,1-2H3
InChIKeyODDRUAINJOFGTF-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.10
Rot. Bonds5

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

1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one (PubChem CID 86301785) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
PubChem CID86301785
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one
SMILESCC1CCN(CCCOc2ccc3c(c2)N(C)C(=O)CC3)CC1
InChIInChI=1S/C19H28N2O2/c1-15-8-11-21(12-9-15)10-3-13-23-17-6-4-16-5-7-19(22)20(2)18(16)14-17/h4,6,14-15H,3,5,7-13H2,1-2H3
InChIKeyODDRUAINJOFGTF-UHFFFAOYSA-N
XLogP3.10
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
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
1-Ethyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9995111
1-(Cyclohexylmethyl)-5-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9999254

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one (CID 86301785) is 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one is CC1CCN(CCCOc2ccc3c(c2)N(C)C(=O)CC3)CC1.
What is the InChIKey of 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
The InChIKey is ODDRUAINJOFGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-15-8-11-21(12-9-15)10-3-13-23-17-6-4-16-5-7-19(22)20(2)18(16)14-17/h4,6,14-15H,3,5,7-13H2,1-2H3.
What are the key properties of 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one?
1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one has a molecular weight of 316.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[3-(4-methylpiperidin-1-yl)propoxy]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 86301785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).