2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide

C16H22N2O3 — CID 130441906

IUPAC2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1CCc2cc(OC)ccc2C1
InChIInChI=1S/C16H22N2O3/c1-17-16(20)15(4-3-9-19)18-8-7-12-10-14(21-2)6-5-13(12)11-18/h5-6,9-10,15H,3-4,7-8,11H2,1-2H3,(H,17,20)
InChIKeyMKWCGHCWDNCDHA-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.15
Rot. Bonds6

About 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide

2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide (PubChem CID 130441906) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide
PubChem CID130441906
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1CCc2cc(OC)ccc2C1
InChIInChI=1S/C16H22N2O3/c1-17-16(20)15(4-3-9-19)18-8-7-12-10-14(21-2)6-5-13(12)11-18/h5-6,9-10,15H,3-4,7-8,11H2,1-2H3,(H,17,20)
InChIKeyMKWCGHCWDNCDHA-UHFFFAOYSA-N
XLogP1.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide 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-methyl-2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)hex-5-enamide
CID 170105065
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82582196
2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)hexanoic acid
CID 138003859
methyl (2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 95294682
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)acetic acid
CID 18759834
6-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl fluoride
CID 172635030
(Z)-2-[(1,2-dimethyl-2H-pyridin-5-yl)iminomethyl]-3-pyrrolidin-1-ylprop-1-en-1-amine;2-(6-methoxy-1,4-dihydro-2,3-benzoxazin-3-yl)-N-methyl-5-oxopentanamide
CID 178140030
(2R)-2-(7-methoxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl)-N,N-dimethylpropanamide
CID 95299825
2-[(1-hydroxycyclohexyl)methylamino]-1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 163693915
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-phenylpropan-1-one
CID 15718698
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide?
The IUPAC name of 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide (CID 130441906) is 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N1CCc2cc(OC)ccc2C1.
What is the InChIKey of 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide?
The InChIKey is MKWCGHCWDNCDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-17-16(20)15(4-3-9-19)18-8-7-12-10-14(21-2)6-5-13(12)11-18/h5-6,9-10,15H,3-4,7-8,11H2,1-2H3,(H,17,20).
What are the key properties of 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide?
2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide has a molecular weight of 290.36 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide is sourced from PubChem (CID 130441906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).