2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride

C15H21ClN2O — CID 73449358

IUPAC2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride
SMILESCCC1(C)Cc2ccccc2C(=CC(=O)NC)N1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-4-15(2)10-11-7-5-6-8-12(11)13(17-15)9-14(18)16-3;/h5-9,17H,4,10H2,1-3H3,(H,16,18);1H
InChIKeyNRQYGHKBQRLANC-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.51
Rot. Bonds2

About 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride

2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride (PubChem CID 73449358) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride
PubChem CID73449358
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride
SMILESCCC1(C)Cc2ccccc2C(=CC(=O)NC)N1.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-4-15(2)10-11-7-5-6-8-12(11)13(17-15)9-14(18)16-3;/h5-9,17H,4,10H2,1-3H3,(H,16,18);1H
InChIKeyNRQYGHKBQRLANC-UHFFFAOYSA-N
XLogP2.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride
CID 18529790
2-(3,3-diethyl-2,4-dihydroisoquinolin-1-ylidene)-1-phenylethanone
CID 69209614
2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide
CID 3074987
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide
CID 4084988
methyl 3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanoate
CID 5172752
ethyl (3Z)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanoate
CID 11065621
(3Z)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1,1,1-trifluoropropan-2-one
CID 23251449
2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-nitrophenyl)acetamide
CID 2857524
(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide
CID 6521850
1-cyclododecyl-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone
CID 69212093
2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanehydrazide
CID 4555708
2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(4-methylnaphthalen-1-yl)ethanone
CID 69212563

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride?
The IUPAC name of 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride (CID 73449358) is 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride.
What is the SMILES notation for 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride?
The canonical SMILES for 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride is CCC1(C)Cc2ccccc2C(=CC(=O)NC)N1.Cl.
What is the InChIKey of 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride?
The InChIKey is NRQYGHKBQRLANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-4-15(2)10-11-7-5-6-8-12(11)13(17-15)9-14(18)16-3;/h5-9,17H,4,10H2,1-3H3,(H,16,18);1H.
What are the key properties of 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride?
2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-methyl-2,4-dihydroisoquinolin-1-ylidene)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 73449358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).