1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

C17H18ClNO — CID 21075843

IUPAC1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2c1C(c1ccc(Cl)cc1)N(C)CC2
InChIInChI=1S/C17H18ClNO/c1-19-11-10-12-4-3-5-15(20-2)16(12)17(19)13-6-8-14(18)9-7-13/h3-9,17H,10-11H2,1-2H3
InChIKeyIYVCSSCQEZAPRN-UHFFFAOYSA-N
MW287.79 g/mol
LogP3.93
Rot. Bonds2

About 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline

1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 21075843) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID21075843
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCOc1cccc2c1C(c1ccc(Cl)cc1)N(C)CC2
InChIInChI=1S/C17H18ClNO/c1-19-11-10-12-4-3-5-15(20-2)16(12)17(19)13-6-8-14(18)9-7-13/h3-9,17H,10-11H2,1-2H3
InChIKeyIYVCSSCQEZAPRN-UHFFFAOYSA-N
XLogP3.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
CID 23757267
8-chloro-1-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 11164521
1,2-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-one
CID 141066118
1-[(1R)-1-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
CID 40514092
[1-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]-[2-(trifluoromethoxy)phenyl]methanone
CID 162550537
6-bromo-7-methoxy-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinoline
CID 10042357
methyl 1-(4-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 11847566
1,7-dimethoxy-2,3-dihydro-1H-indene
CID 139893728
2-methyl-1-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline
CID 23568852
(3S)-5-methoxy-16-methyltricyclo[10.4.0.04,9]hexadeca-1(16),4(9),5,7,12,14-hexaene-2,3-diol
CID 158553914
1-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 174547872
(6aS)-10-methoxy-6,9-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
CID 10107666

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline (CID 21075843) is 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is COc1cccc2c1C(c1ccc(Cl)cc1)N(C)CC2.
What is the InChIKey of 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is IYVCSSCQEZAPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-19-11-10-12-4-3-5-15(20-2)16(12)17(19)13-6-8-14(18)9-7-13/h3-9,17H,10-11H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline?
1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 287.79 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-8-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 21075843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).