N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide

C20H22Cl2N2O — CID 10177592

IUPACN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C1CN(C)Cc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C20H22Cl2N2O/c1-3-6-20(25)23-19-8-5-4-7-14(19)16-11-24(2)12-17-15(16)9-13(21)10-18(17)22/h4-5,7-10,16H,3,6,11-12H2,1-2H3,(H,23,25)
InChIKeyWJLVVYJYMZFJET-UHFFFAOYSA-N
MW377.32 g/mol
LogP5.31
Rot. Bonds4

About N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide

N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide (PubChem CID 10177592) has the molecular formula C20H22Cl2N2O and a molecular weight of 377.32 g/mol. Its IUPAC name is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide.

Molecular Properties

Compound NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide
PubChem CID10177592
Molecular FormulaC20H22Cl2N2O
Molecular Weight377.32 g/mol
Exact Mass376.11
IUPAC NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1C1CN(C)Cc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C20H22Cl2N2O/c1-3-6-20(25)23-19-8-5-4-7-14(19)16-11-24(2)12-17-15(16)9-13(21)10-18(17)22/h4-5,7-10,16H,3,6,11-12H2,1-2H3,(H,23,25)
InChIKeyWJLVVYJYMZFJET-UHFFFAOYSA-N
XLogP5.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide with MolForge

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Related Compounds

Gastrofenzin
CID 146094
1-(3-Chloro-phenyl)-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404176
6-Chloro-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dihydro-1H-quinolin-2-one
CID 44404235
1-(4-Chloro-phenyl)-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404259
N-(2-((3S,6S)-1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl)ethyl)acetamide
CID 46229969
N-(2,4-dichlorophenyl)-2-(2,3,3-trimethyl-1,4-dihydroisoquinolin-1-yl)acetamide
CID 2860054
Benzamide, 2-chloro-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-
CID 37748
N-[(2-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 2107332
3-[(3R,4S)-4-(4-Chloro-phenyl)-1-methyl-piperidin-3-yl]-N-phenyl-propionamide
CID 11233617
N-[(2,4-dichlorophenyl)methyl]-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 16287819
[1-[(2,4-dichlorophenyl)methyl]piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 38106183
N-Phenyl-1-(4-chlorobenzyl)piperidine-4-carboxamide
CID 40921957

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide?
The IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide (CID 10177592) is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide.
What is the SMILES notation for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide?
The canonical SMILES for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide is CCCC(=O)Nc1ccccc1C1CN(C)Cc2c(Cl)cc(Cl)cc21.
What is the InChIKey of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide?
The InChIKey is WJLVVYJYMZFJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O/c1-3-6-20(25)23-19-8-5-4-7-14(19)16-11-24(2)12-17-15(16)9-13(21)10-18(17)22/h4-5,7-10,16H,3,6,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide?
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide has a molecular weight of 377.32 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]butanamide is sourced from PubChem (CID 10177592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).