6-bromo-1-methoxy-3,4-dihydroisoquinoline

C10H10BrNO — CID 58851553

IUPAC6-bromo-1-methoxy-3,4-dihydroisoquinoline
SMILESCOC1=NCCc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO/c1-13-10-9-3-2-8(11)6-7(9)4-5-12-10/h2-3,6H,4-5H2,1H3
InChIKeyZKKITIOKOHOHTQ-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.40
Rot. Bonds

About 6-bromo-1-methoxy-3,4-dihydroisoquinoline

6-bromo-1-methoxy-3,4-dihydroisoquinoline (PubChem CID 58851553) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 6-bromo-1-methoxy-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-bromo-1-methoxy-3,4-dihydroisoquinoline
PubChem CID58851553
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name6-bromo-1-methoxy-3,4-dihydroisoquinoline
SMILESCOC1=NCCc2cc(Br)ccc21
InChIInChI=1S/C10H10BrNO/c1-13-10-9-3-2-8(11)6-7(9)4-5-12-10/h2-3,6H,4-5H2,1H3
InChIKeyZKKITIOKOHOHTQ-UHFFFAOYSA-N
XLogP2.40
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-3-methoxy-1H-isoindole
CID 153140514
1-(3-bromophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 13419015
5-bromo-2,3-dihydroinden-1-one
CID 161015201
6,7-dimethoxy-1-(2-phenylethenyl)-3,4-dihydroisoquinoline
CID 54003250
1-(2-bromoethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 91664959
5-bromo-13-methoxytricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one
CID 59272320
3,10-dibromo-5,6,12,13-tetrahydronaphtho[1,2-b]phenanthrene;2,5-dimethyl-1,3,4-oxadiazole
CID 90840939
1-cyclohexyl-6-methoxy-3,4-dihydroisoquinoline
CID 18172454
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
7-methoxy-1-methyl-3,4-dihydroisoquinolin-6-ol
CID 605727
(2R)-6-bromo-2-hydroxy-3,4-dihydro-2H-naphthalen-1-one
CID 93493266
1-(2,4-dibromophenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
CID 4984009

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methoxy-3,4-dihydroisoquinoline?
The IUPAC name of 6-bromo-1-methoxy-3,4-dihydroisoquinoline (CID 58851553) is 6-bromo-1-methoxy-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-bromo-1-methoxy-3,4-dihydroisoquinoline?
The canonical SMILES for 6-bromo-1-methoxy-3,4-dihydroisoquinoline is COC1=NCCc2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-methoxy-3,4-dihydroisoquinoline?
The InChIKey is ZKKITIOKOHOHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-13-10-9-3-2-8(11)6-7(9)4-5-12-10/h2-3,6H,4-5H2,1H3.
What are the key properties of 6-bromo-1-methoxy-3,4-dihydroisoquinoline?
6-bromo-1-methoxy-3,4-dihydroisoquinoline has a molecular weight of 240.10 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methoxy-3,4-dihydroisoquinoline is sourced from PubChem (CID 58851553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).