1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine

C25H23N3O2 — CID 6407605

IUPAC1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine
SMILESCOc1cc2c(cc1OC)CN(c1nnc(-c3ccccc3)c3ccccc13)CC2
InChIInChI=1S/C25H23N3O2/c1-29-22-14-18-12-13-28(16-19(18)15-23(22)30-2)25-21-11-7-6-10-20(21)24(26-27-25)17-8-4-3-5-9-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyFZWUAEZIXQFGGY-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.88
Rot. Bonds4

About 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine

1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine (PubChem CID 6407605) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine.

Molecular Properties

Compound Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine
PubChem CID6407605
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine
SMILESCOc1cc2c(cc1OC)CN(c1nnc(-c3ccccc3)c3ccccc13)CC2
InChIInChI=1S/C25H23N3O2/c1-29-22-14-18-12-13-28(16-19(18)15-23(22)30-2)25-21-11-7-6-10-20(21)24(26-27-25)17-8-4-3-5-9-17/h3-11,14-15H,12-13,16H2,1-2H3
InChIKeyFZWUAEZIXQFGGY-UHFFFAOYSA-N
XLogP4.88
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[1,2,4]triazolo[3,4-a]phthalazine
CID 142617442
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
2-(6-chloro-2-methylsulfanyl-5-phenylpyrimidin-4-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 3228624
1-(3-methoxyphenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 101106350
6,7-dimethoxy-2-(6-methoxy-2,5-dimethylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 99709158
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-phenylthiadiazol-5-yl)methanone
CID 51048790
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6,7-dimethoxyquinazoline
CID 21002947
2-(2,3-dimethyl-1H-pyrrolo[2,3-c]pyridin-7-yl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 144743909
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-(methoxymethyl)-5-phenylthieno[2,3-d]pyrimidine
CID 133278747
N-benzyl-4,6-bis(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-1,3,5-triazin-2-amine
CID 19436853
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1,3,4-oxadiazol-2-amine
CID 103436503
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)benzamide
CID 141421893

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine?
The IUPAC name of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine (CID 6407605) is 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine.
What is the SMILES notation for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine?
The canonical SMILES for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine is COc1cc2c(cc1OC)CN(c1nnc(-c3ccccc3)c3ccccc13)CC2.
What is the InChIKey of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine?
The InChIKey is FZWUAEZIXQFGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-29-22-14-18-12-13-28(16-19(18)15-23(22)30-2)25-21-11-7-6-10-20(21)24(26-27-25)17-8-4-3-5-9-17/h3-11,14-15H,12-13,16H2,1-2H3.
What are the key properties of 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine?
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine has a molecular weight of 397.48 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-phenylphthalazine is sourced from PubChem (CID 6407605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).