N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide

C17H25N3O2 — CID 16837312

IUPACN'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H25N3O2/c1-3-9-18-16(21)17(22)19-10-8-13-6-7-15-14(12-13)5-4-11-20(15)2/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyJSJUOLMAXVDSJK-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.25
Rot. Bonds5

About N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide

N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide (PubChem CID 16837312) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide.

Molecular Properties

Compound NameN'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
PubChem CID16837312
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
SMILESCCCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C
InChIInChI=1S/C17H25N3O2/c1-3-9-18-16(21)17(22)19-10-8-13-6-7-15-14(12-13)5-4-11-20(15)2/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyJSJUOLMAXVDSJK-UHFFFAOYSA-N
XLogP1.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide 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'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837338
2-methyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]propanamide
CID 16837096
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(2-methylphenyl)oxamide
CID 16837383
N'-(2,4-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837342
N'-(2-chlorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837382
N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-propyloxamide
CID 30577631
N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837402
2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methylamino]-N-propylpropanamide
CID 62097569
3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837089
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]propanamide
CID 51099812
2-(4-chlorophenoxy)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]acetamide
CID 16837028

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide?
The IUPAC name of N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide (CID 16837312) is N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide.
What is the SMILES notation for N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide?
The canonical SMILES for N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide is CCCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2C.
What is the InChIKey of N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide?
The InChIKey is JSJUOLMAXVDSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-9-18-16(21)17(22)19-10-8-13-6-7-15-14(12-13)5-4-11-20(15)2/h6-7,12H,3-5,8-11H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide?
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide has a molecular weight of 303.41 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide is sourced from PubChem (CID 16837312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).