6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline

C20H23NO2 — CID 102052760

IUPAC6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
SMILESC=CCN1Cc2cc(OC)c(OC)cc2CC1c1ccccc1
InChIInChI=1S/C20H23NO2/c1-4-10-21-14-17-13-20(23-3)19(22-2)12-16(17)11-18(21)15-8-6-5-7-9-15/h4-9,12-13,18H,1,10-11,14H2,2-3H3
InChIKeyHXXRYCSCJPHNBI-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.99
Rot. Bonds5

About 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline

6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline (PubChem CID 102052760) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
PubChem CID102052760
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline
SMILESC=CCN1Cc2cc(OC)c(OC)cc2CC1c1ccccc1
InChIInChI=1S/C20H23NO2/c1-4-10-21-14-17-13-20(23-3)19(22-2)12-16(17)11-18(21)15-8-6-5-7-9-15/h4-9,12-13,18H,1,10-11,14H2,2-3H3
InChIKeyHXXRYCSCJPHNBI-UHFFFAOYSA-N
XLogP3.99
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7,8-dimethoxy-3-methyl-4-phenyl-1,2,4,5-tetrahydro-3-benzazepine
CID 12744904
methyl (2S,3S)-2-(6,7-dimethoxy-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentanoate
CID 102052761
3-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 119163734
(2S,3R)-3-methoxy-2-phenyl-1-prop-2-enylazetidine
CID 102383032
(4R)-7,8-dimethoxy-2-methyl-4-prop-2-enyl-4,5-dihydro-1H-2-benzazepin-3-one
CID 57409427
3-ethyl-6,7-dimethoxy-2-phenyl-2,4-dihydro-1,3-benzothiazine
CID 14297046
7-methoxy-3-phenyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 119932291
2-benzyl-7-methoxy-3-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 70688134
(10aR)-2-benzyl-7,8-dimethoxy-3-sulfanylidene-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-1-one
CID 7349876
(3R,4S)-3-(3,4-dimethoxyphenyl)-4-phenyl-1-prop-2-enylazetidin-2-one
CID 122372888
(13aR)-11-methoxy-2,3-dimethyl-10-phenylmethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline
CID 118477573
7,8-dimethoxy-10-prop-2-enyl-5,10-dihydropyrrolo[1,2-b]isoquinoline
CID 132540560

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline (CID 102052760) is 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline is C=CCN1Cc2cc(OC)c(OC)cc2CC1c1ccccc1.
What is the InChIKey of 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HXXRYCSCJPHNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-4-10-21-14-17-13-20(23-3)19(22-2)12-16(17)11-18(21)15-8-6-5-7-9-15/h4-9,12-13,18H,1,10-11,14H2,2-3H3.
What are the key properties of 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline?
6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 309.41 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-phenyl-2-prop-2-enyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 102052760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).