2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide

C16H21N3O — CID 78942753

IUPAC2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-8-18-16(20)11-17-10-13-9-12(2)19-15-7-5-4-6-14(13)15/h4-7,9,17H,3,8,10-11H2,1-2H3,(H,18,20)
InChIKeyPYTZNTHJEQWNKX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.16
Rot. Bonds6

About 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide

2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide (PubChem CID 78942753) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
PubChem CID78942753
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCc1cc(C)nc2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-8-18-16(20)11-17-10-13-9-12(2)19-15-7-5-4-6-14(13)15/h4-7,9,17H,3,8,10-11H2,1-2H3,(H,18,20)
InChIKeyPYTZNTHJEQWNKX-UHFFFAOYSA-N
XLogP2.16
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide 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-ethyl-N'-[(2-methylquinolin-4-yl)methyl]ethane-1,2-diamine
CID 113405208
ethyl 3-[(2-methylquinolin-4-yl)methylamino]propanoate
CID 79235448
[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl] 2-methylquinoline-4-carboxylate
CID 8577440
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861
N-[(2-methylquinolin-4-yl)methyl]-2-methylsulfonylethanamine
CID 78943321
N',N'-diethyl-N-[(2-methylquinolin-4-yl)methyl]propane-1,3-diamine
CID 78943020
2-(3,5-dimethylphenoxy)-N-[(2-methylquinolin-4-yl)methyl]acetamide
CID 4915926
N-propyl-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylamino)acetamide
CID 66414448
2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]-N-propylacetamide
CID 60663784
2-(4-methylphenyl)-N-[2-oxo-2-(propylamino)ethyl]quinoline-4-carboxamide
CID 9163082
2-naphthalen-1-yl-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]acetamide
CID 9163230
1-(2-methylquinolin-4-yl)hexan-3-one
CID 79429367

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide?
The IUPAC name of 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide (CID 78942753) is 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide is CCCNC(=O)CNCc1cc(C)nc2ccccc12.
What is the InChIKey of 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide?
The InChIKey is PYTZNTHJEQWNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-8-18-16(20)11-17-10-13-9-12(2)19-15-7-5-4-6-14(13)15/h4-7,9,17H,3,8,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide?
2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide has a molecular weight of 271.36 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylquinolin-4-yl)methylamino]-N-propylacetamide is sourced from PubChem (CID 78942753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).