(2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride

C19H20Cl2N2O — CID 18529790

IUPAC(2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride
SMILESCC1(C)Cc2ccccc2/C(=C/C(=O)Nc2ccc(Cl)cc2)N1.Cl
InChIInChI=1S/C19H19ClN2O.ClH/c1-19(2)12-13-5-3-4-6-16(13)17(22-19)11-18(23)21-15-9-7-14(20)8-10-15;/h3-11,22H,12H2,1-2H3,(H,21,23);1H/b17-11-;
InChIKeyWDIPLRIKVDVCTL-CULRIWENSA-N
MW363.29 g/mol
LogP4.67
Rot. Bonds2

About (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride

(2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride (PubChem CID 18529790) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride.

Molecular Properties

Compound Name(2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride
PubChem CID18529790
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name(2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride
SMILESCC1(C)Cc2ccccc2/C(=C/C(=O)Nc2ccc(Cl)cc2)N1.Cl
InChIInChI=1S/C19H19ClN2O.ClH/c1-19(2)12-13-5-3-4-6-16(13)17(22-19)11-18(23)21-15-9-7-14(20)8-10-15;/h3-11,22H,12H2,1-2H3,(H,21,23);1H/b17-11-;
InChIKeyWDIPLRIKVDVCTL-CULRIWENSA-N
XLogP4.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 54.67
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

2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-methylphenyl)acetamide
CID 3074987
N-(4-chlorophenyl)-2-(2,3,3-trimethyl-4H-isoquinolin-1-ylidene)acetamide
CID 760624
(2Z)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(1,3-thiazol-2-yl)acetamide
CID 6521850
2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-N-(2-nitrophenyl)acetamide
CID 2857524
methyl 3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanoate
CID 5172752
N-(4-chlorophenyl)-2-(2,2,6,6-tetramethylpiperidin-4-ylidene)acetamide
CID 22755887
1-cyclododecyl-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone
CID 69212093
(3Z)-N-[(E)-benzylideneamino]-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanamide
CID 6877710
ethyl (3Z)-3-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-2-oxopropanoate
CID 11065621
N-(2-chlorophenyl)-2-(6,7-dimethoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide
CID 23856499
1-(2-aminophenyl)-2-(6-chloro-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)ethanone
CID 69211340
2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)-1-(2,5-dimethylfuran-3-yl)ethanone
CID 69213241

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride?
The IUPAC name of (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride (CID 18529790) is (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride.
What is the SMILES notation for (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride?
The canonical SMILES for (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride is CC1(C)Cc2ccccc2/C(=C/C(=O)Nc2ccc(Cl)cc2)N1.Cl.
What is the InChIKey of (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride?
The InChIKey is WDIPLRIKVDVCTL-CULRIWENSA-N. The full InChI is InChI=1S/C19H19ClN2O.ClH/c1-19(2)12-13-5-3-4-6-16(13)17(22-19)11-18(23)21-15-9-7-14(20)8-10-15;/h3-11,22H,12H2,1-2H3,(H,21,23);1H/b17-11-;.
What are the key properties of (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride?
(2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride has a molecular weight of 363.29 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(4-chlorophenyl)-2-(3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetamide;hydrochloride is sourced from PubChem (CID 18529790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).