6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline

C21H24N4O2 — CID 174718958

IUPAC6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(CCc1ccc(-n3ccnn3)cc1)CC2
InChIInChI=1S/C21H24N4O2/c1-26-20-13-17-8-11-24(15-18(17)14-21(20)27-2)10-7-16-3-5-19(6-4-16)25-12-9-22-23-25/h3-6,9,12-14H,7-8,10-11,15H2,1-2H3
InChIKeyWCRYYZAOOMXIPB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.89
Rot. Bonds6

About 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 174718958) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline
PubChem CID174718958
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline
SMILESCOc1cc2c(cc1OC)CN(CCc1ccc(-n3ccnn3)cc1)CC2
InChIInChI=1S/C21H24N4O2/c1-26-20-13-17-8-11-24(15-18(17)14-21(20)27-2)10-7-16-3-5-19(6-4-16)25-12-9-22-23-25/h3-6,9,12-14H,7-8,10-11,15H2,1-2H3
InChIKeyWCRYYZAOOMXIPB-UHFFFAOYSA-N
XLogP2.89
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]aniline
CID 10041227
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
1-(4-aminophenyl)-3-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]urea
CID 44565509
4-[2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]aniline;hydrochloride
CID 21161757
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methyl-3-pyridin-4-ylpropan-1-amine
CID 19897622
N-[2-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4,5-dimethylphenyl]-4-imidazol-1-ylbenzamide
CID 164964947
4-[2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)ethyl]aniline
CID 19974556
2-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 1377255
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144
1-N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70011165
3-[2-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]tetrazol-5-yl]-4-nitrophenol
CID 163249274

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline (CID 174718958) is 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline is COc1cc2c(cc1OC)CN(CCc1ccc(-n3ccnn3)cc1)CC2.
What is the InChIKey of 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is WCRYYZAOOMXIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-26-20-13-17-8-11-24(15-18(17)14-21(20)27-2)10-7-16-3-5-19(6-4-16)25-12-9-22-23-25/h3-6,9,12-14H,7-8,10-11,15H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 364.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[2-[4-(triazol-1-yl)phenyl]ethyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 174718958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).