2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride

C15H21Cl3N2O — CID 119813552

IUPAC2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-3-9(2)14(18)15(20)19-5-4-10-6-11(16)7-13(17)12(10)8-19;/h6-7,9,14H,3-5,8,18H2,1-2H3;1H
InChIKeyAZDOCIMPUMXXHT-UHFFFAOYSA-N
MW351.71 g/mol
LogP3.67
Rot. Bonds3

About 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride

2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride (PubChem CID 119813552) has the molecular formula C15H21Cl3N2O and a molecular weight of 351.71 g/mol. Its IUPAC name is 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride
PubChem CID119813552
Molecular FormulaC15H21Cl3N2O
Molecular Weight351.71 g/mol
Exact Mass350.07
IUPAC Name2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1.Cl
InChIInChI=1S/C15H20Cl2N2O.ClH/c1-3-9(2)14(18)15(20)19-5-4-10-6-11(16)7-13(17)12(10)8-19;/h6-7,9,14H,3-5,8,18H2,1-2H3;1H
InChIKeyAZDOCIMPUMXXHT-UHFFFAOYSA-N
XLogP3.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentan-1-one
CID 119813567
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119777884
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one
CID 146400432
2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119743462
1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119813536
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone;hydrochloride
CID 120637679
(2R,3R)-2-amino-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 67299766
2-amino-3-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119738906
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-3-methylpentan-1-one;hydrochloride
CID 119399357
(2S,3S)-2-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 84597263
2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119720691

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride (CID 119813552) is 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride is CCC(C)C(N)C(=O)N1CCc2cc(Cl)cc(Cl)c2C1.Cl.
What is the InChIKey of 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride?
The InChIKey is AZDOCIMPUMXXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O.ClH/c1-3-9(2)14(18)15(20)19-5-4-10-6-11(16)7-13(17)12(10)8-19;/h6-7,9,14H,3-5,8,18H2,1-2H3;1H.
What are the key properties of 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride?
2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119813552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).