1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

C17H16BrNO2 — CID 13419015

IUPAC1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cccc(Br)c1)=NCC2
InChIInChI=1S/C17H16BrNO2/c1-20-15-9-11-6-7-19-17(14(11)10-16(15)21-2)12-4-3-5-13(18)8-12/h3-5,8-10H,6-7H2,1-2H3
InChIKeyLLNUCZCKOCDDFS-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.86
Rot. Bonds3

About 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline (PubChem CID 13419015) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
PubChem CID13419015
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC)C(c1cccc(Br)c1)=NCC2
InChIInChI=1S/C17H16BrNO2/c1-20-15-9-11-6-7-19-17(14(11)10-16(15)21-2)12-4-3-5-13(18)8-12/h3-5,8-10H,6-7H2,1-2H3
InChIKeyLLNUCZCKOCDDFS-UHFFFAOYSA-N
XLogP3.86
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 22176
CID 22176
CID 50463
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CID 622378
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CID 22652
CID 22652
CID 429249
CID 429249
CID 872504
CID 872504
CID 3766962
CID 3766962
CID 22332367
CID 22332367
CID 11730147
CID 11730147
CID 2823737
CID 2823737
CID 10991952
CID 10991952
CID 3052867
CID 3052867

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The IUPAC name of 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline (CID 13419015) is 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline is COc1cc2c(cc1OC)C(c1cccc(Br)c1)=NCC2.
What is the InChIKey of 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
The InChIKey is LLNUCZCKOCDDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-20-15-9-11-6-7-19-17(14(11)10-16(15)21-2)12-4-3-5-13(18)8-12/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline?
1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline has a molecular weight of 346.22 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 13419015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).