7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline

C17H16ClNO — CID 46881358

IUPAC7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1cccc(C)c1)=NCC2
InChIInChI=1S/C17H16ClNO/c1-11-4-3-5-13(8-11)17-14-10-15(18)16(20-2)9-12(14)6-7-19-17/h3-5,8-10H,6-7H2,1-2H3
InChIKeyRXAISPDILWRCME-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.05
Rot. Bonds2

About 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline

7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline (PubChem CID 46881358) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline
PubChem CID46881358
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1Cl)C(c1cccc(C)c1)=NCC2
InChIInChI=1S/C17H16ClNO/c1-11-4-3-5-13(8-11)17-14-10-15(18)16(20-2)9-12(14)6-7-19-17/h3-5,8-10H,6-7H2,1-2H3
InChIKeyRXAISPDILWRCME-UHFFFAOYSA-N
XLogP4.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Bromophenyl)-7-chloro-6-methoxy-3,4-dihydroisoquinoline
CID 25203945
1-(4-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 2823737
7-Chloro-1-(3,4-dichlorophenyl)-6-methoxy-3,4-dihydroisoquinoline
CID 44138048
7-Chloro-1-(3-chlorophenyl)-6-methoxy-3,4-dihydroisoquinoline
CID 44138049
7-Chloro-6-methoxy-1-naphthalen-2-yl-3,4-dihydroisoquinoline
CID 46881352
7-Chloro-1-(3-chloro-2-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
CID 46881359
(3R)-5-(4-chlorophenyl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinoline
CID 49845727
(3R)-5-(3-chlorophenyl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinoline
CID 49845877
1-(3-Chlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 2823738
[4-(7-Chloro-8-methoxy-1-phenyl-1,2,4,5-tetrahydro-benzo[d]azepin-3-yl)-butyl]-dimethyl-amine
CID 10834067
1-(3,4-Dichlorophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 46881329
7-Chloro-1-(3-fluorophenyl)-6-methoxy-3,4-dihydroisoquinoline
CID 46881342

Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline?
The IUPAC name of 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline (CID 46881358) is 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline is COc1cc2c(cc1Cl)C(c1cccc(C)c1)=NCC2.
What is the InChIKey of 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline?
The InChIKey is RXAISPDILWRCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-4-3-5-13(8-11)17-14-10-15(18)16(20-2)9-12(14)6-7-19-17/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline?
7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline has a molecular weight of 285.77 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-methoxy-1-(3-methylphenyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 46881358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).