6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride

C15H22BrClN2O — CID 162324552

IUPAC6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride
SMILESCCN(CC)C1C(=O)NC(C)(C)c2ccc(Br)cc21.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-5-18(6-2)13-11-9-10(16)7-8-12(11)15(3,4)17-14(13)19;/h7-9,13H,5-6H2,1-4H3,(H,17,19);1H
InChIKeySAKSUENBJHTHHC-UHFFFAOYSA-N
MW361.71 g/mol
LogP3.62
Rot. Bonds3

About 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride

6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride (PubChem CID 162324552) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride.

Molecular Properties

Compound Name6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride
PubChem CID162324552
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride
SMILESCCN(CC)C1C(=O)NC(C)(C)c2ccc(Br)cc21.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-5-18(6-2)13-11-9-10(16)7-8-12(11)15(3,4)17-14(13)19;/h7-9,13H,5-6H2,1-4H3,(H,17,19);1H
InChIKeySAKSUENBJHTHHC-UHFFFAOYSA-N
XLogP3.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride with MolForge

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Related Compounds

1-(4-bromo-2-chlorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64963273
1-(5-bromo-2-fluorophenyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64961092
1-(4-bromo-2-chlorophenyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64963404
(8S)-8-(5-bromo-2-methoxyphenyl)-1-methyl-2,6-diazabicyclo[2.2.2]octane-3,5-dione
CID 52903131
3-(4-bromo-2-ethylphenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 81290029
6-bromo-4-methyl-2,4-dihydro-1H-isoquinolin-3-one
CID 58296529
5-bromo-3-nonyl-1,3-dihydroindol-2-one
CID 106987050
5-bromo-3-(butan-2-ylamino)-1,3-dihydroindol-2-one
CID 43190207
6'-bromo-5,5-dimethylspiro[1,3-oxazolidine-4,3'-2H-1-benzofuran]-2-one
CID 165396975
3-(5-bromo-2-chlorophenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835922
6-bromo-4,4-dimethyl-3H-1,3-benzoxazine-2-thione
CID 87064570
(3S)-5-bromo-3-hydroxy-1,3-dihydroindol-2-one
CID 714172

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride?
The IUPAC name of 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride (CID 162324552) is 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride.
What is the SMILES notation for 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride?
The canonical SMILES for 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride is CCN(CC)C1C(=O)NC(C)(C)c2ccc(Br)cc21.Cl.
What is the InChIKey of 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride?
The InChIKey is SAKSUENBJHTHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-5-18(6-2)13-11-9-10(16)7-8-12(11)15(3,4)17-14(13)19;/h7-9,13H,5-6H2,1-4H3,(H,17,19);1H.
What are the key properties of 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride?
6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(diethylamino)-1,1-dimethyl-2,4-dihydroisoquinolin-3-one;hydrochloride is sourced from PubChem (CID 162324552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).