5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline

C15H20BrNO — CID 110457383

IUPAC5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1Br)CCN(C1CCCC1)C2
InChIInChI=1S/C15H20BrNO/c1-18-14-7-6-11-10-17(12-4-2-3-5-12)9-8-13(11)15(14)16/h6-7,12H,2-5,8-10H2,1H3
InChIKeyQCRGYFDPXCKZHC-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.76
Rot. Bonds2

About 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline

5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline (PubChem CID 110457383) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline
PubChem CID110457383
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline
SMILESCOc1ccc2c(c1Br)CCN(C1CCCC1)C2
InChIInChI=1S/C15H20BrNO/c1-18-14-7-6-11-10-17(12-4-2-3-5-12)9-8-13(11)15(14)16/h6-7,12H,2-5,8-10H2,1H3
InChIKeyQCRGYFDPXCKZHC-UHFFFAOYSA-N
XLogP3.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-cyclopentyl-3,4-dihydro-1H-isoquinolin-5-amine
CID 82581804
methyl 2-cyclopentyl-3,4-dihydro-1H-isoquinoline-6-carboxylate
CID 82582498
6,7-dimethoxy-2-[(1R,3S)-3-methylcyclohexyl]-3,4-dihydro-1H-isoquinoline
CID 7445947
(11aR)-2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizine
CID 14145926
6-bromo-2-cyclobutyl-3,4-dihydro-1H-isoquinoline
CID 84711609
2-cyclooctyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104559615
8-(4-cyclohexylpiperazin-1-yl)-5-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 69446365
3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexan-1-ol
CID 3779112
2-bromo-6-methoxy-3,4-dihydro-1H-isoquinolin-5-ol
CID 58602621
6-[(2-bromo-4-methylphenoxy)methyl]-5-methyl-2-(oxan-4-yl)-3,4-dihydro-1H-isoquinoline
CID 118681567
3-cyclobutyl-10-methoxy-1,2,4,5-tetrahydro-[1]benzofuro[2,3-d]azepine
CID 168943641
4-bromo-2-cyclohexyl-1,3-dihydroisoindole
CID 84738985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline (CID 110457383) is 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline is COc1ccc2c(c1Br)CCN(C1CCCC1)C2.
What is the InChIKey of 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline?
The InChIKey is QCRGYFDPXCKZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-18-14-7-6-11-10-17(12-4-2-3-5-12)9-8-13(11)15(14)16/h6-7,12H,2-5,8-10H2,1H3.
What are the key properties of 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline?
5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline has a molecular weight of 310.23 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopentyl-6-methoxy-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 110457383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).