6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride

C16H17Cl4N — CID 172804184

IUPAC6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H15Cl2N.2ClH/c1-19-9-14(11-5-3-2-4-6-11)13-7-12(17)8-16(18)15(13)10-19;;/h2-8,14H,9-10H2,1H3;2*1H
InChIKeyRGVHAAITWHVSSG-UHFFFAOYSA-N
MW365.13 g/mol
LogP5.41
Rot. Bonds1

About 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride

6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride (PubChem CID 172804184) has the molecular formula C16H17Cl4N and a molecular weight of 365.13 g/mol. Its IUPAC name is 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride.

Molecular Properties

Compound Name6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
PubChem CID172804184
Molecular FormulaC16H17Cl4N
Molecular Weight365.13 g/mol
Exact Mass363.01
IUPAC Name6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2)C1.Cl.Cl
InChIInChI=1S/C16H15Cl2N.2ClH/c1-19-9-14(11-5-3-2-4-6-11)13-7-12(17)8-16(18)15(13)10-19;;/h2-8,14H,9-10H2,1H3;2*1H
InChIKeyRGVHAAITWHVSSG-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.13
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzoic acid
CID 22386852
4-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]benzenesulfonyl chloride;hydrochloride
CID 135207528
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]ethanimine
CID 70905988
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride
CID 66865360
N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]sulfanylethanamine
CID 91264730
5-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-3-methyl-1,2-oxazole;hydrochloride
CID 129158209
4-(4-benzylsulfanylphenyl)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinoline;4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfonyl chloride;methane;hydrochloride
CID 160685885
2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfonyl chloride
CID 89088125
6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 141072070
(4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 152763848
1-[2-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
CID 11689628

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The IUPAC name of 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride (CID 172804184) is 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride.
What is the SMILES notation for 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The canonical SMILES for 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2)C1.Cl.Cl.
What is the InChIKey of 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride?
The InChIKey is RGVHAAITWHVSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N.2ClH/c1-19-9-14(11-5-3-2-4-6-11)13-7-12(17)8-16(18)15(13)10-19;;/h2-8,14H,9-10H2,1H3;2*1H.
What are the key properties of 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride?
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride has a molecular weight of 365.13 g/mol, XLogP of 5.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride is sourced from PubChem (CID 172804184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).