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

C21H24Cl2N2O — CID 10111009

IUPACN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1C1CN(C)Cc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C21H24Cl2N2O/c1-3-4-9-21(26)24-20-8-6-5-7-15(20)17-12-25(2)13-18-16(17)10-14(22)11-19(18)23/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)
InChIKeyFCUHTHRZFJNSIJ-UHFFFAOYSA-N
MW391.34 g/mol
LogP5.70
Rot. Bonds5

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

N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide (PubChem CID 10111009) has the molecular formula C21H24Cl2N2O and a molecular weight of 391.34 g/mol. Its IUPAC name is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide.

Molecular Properties

Compound NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide
PubChem CID10111009
Molecular FormulaC21H24Cl2N2O
Molecular Weight391.34 g/mol
Exact Mass390.13
IUPAC NameN-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccccc1C1CN(C)Cc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C21H24Cl2N2O/c1-3-4-9-21(26)24-20-8-6-5-7-15(20)17-12-25(2)13-18-16(17)10-14(22)11-19(18)23/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26)
InChIKeyFCUHTHRZFJNSIJ-UHFFFAOYSA-N
XLogP5.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.34
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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
N-tert-butyl-1-[[3-[[2-(2,6-dichlorophenyl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 129626198
Benzamide, 2-chloro-N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-
CID 37748
[(2R,3S,4S)-4-anilino-2-ethyl-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,5-dichlorophenyl)methanone
CID 73755157
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-[(1S)-amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(2-methyl-4-chlorophenyl)propionyl]piperazine
CID 23634986

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide?
The IUPAC name of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide (CID 10111009) is N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide.
What is the SMILES notation for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide?
The canonical SMILES for N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is FCUHTHRZFJNSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O/c1-3-4-9-21(26)24-20-8-6-5-7-15(20)17-12-25(2)13-18-16(17)10-14(22)11-19(18)23/h5-8,10-11,17H,3-4,9,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide?
N-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide has a molecular weight of 391.34 g/mol, XLogP of 5.70, 5 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]pentanamide is sourced from PubChem (CID 10111009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).