3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride

C21H24ClNO — CID 22344374

IUPAC3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
SMILESCC1(C)Cc2ccc3c(c2C(c2ccccc2)=N1)CC(C)(C)O3.Cl
InChIInChI=1S/C21H23NO.ClH/c1-20(2)12-15-10-11-17-16(13-21(3,4)23-17)18(15)19(22-20)14-8-6-5-7-9-14;/h5-11H,12-13H2,1-4H3;1H
InChIKeyFHPSSKOQNZCOJU-UHFFFAOYSA-N
MW341.88 g/mol
LogP4.99
Rot. Bonds1

About 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride

3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride (PubChem CID 22344374) has the molecular formula C21H24ClNO and a molecular weight of 341.88 g/mol. Its IUPAC name is 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride.

Molecular Properties

Compound Name3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
PubChem CID22344374
Molecular FormulaC21H24ClNO
Molecular Weight341.88 g/mol
Exact Mass341.15
IUPAC Name3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
SMILESCC1(C)Cc2ccc3c(c2C(c2ccccc2)=N1)CC(C)(C)O3.Cl
InChIInChI=1S/C21H23NO.ClH/c1-20(2)12-15-10-11-17-16(13-21(3,4)23-17)18(15)19(22-20)14-8-6-5-7-9-14;/h5-11H,12-13H2,1-4H3;1H
InChIKeyFHPSSKOQNZCOJU-UHFFFAOYSA-N
XLogP4.99
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
CID 22343781
ethyl (3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinolin-6-yl) carbonate;hydrochloride
CID 139900656
6-(2-fluoroethoxy)-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22344342
3,3,8,8-tetramethyl-1-phenyl-6-(1-phenyltetrazol-5-yl)oxy-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343835
6-methoxy-3,3,8,8-tetramethyl-1-(4-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343946
1-(1,3-benzodioxol-5-yl)-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
CID 22344037
6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343794
3-(6-ethylsulfanyl-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoic acid
CID 22344397
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343964
2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-methylpropanoic acid
CID 22343838
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343940
6-methoxy-3,3,8,8-tetramethyl-1-(4-methylsulfinylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343852

Frequently Asked Questions

What is the IUPAC name of 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride?
The IUPAC name of 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride (CID 22344374) is 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride.
What is the SMILES notation for 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride?
The canonical SMILES for 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride is CC1(C)Cc2ccc3c(c2C(c2ccccc2)=N1)CC(C)(C)O3.Cl.
What is the InChIKey of 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride?
The InChIKey is FHPSSKOQNZCOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO.ClH/c1-20(2)12-15-10-11-17-16(13-21(3,4)23-17)18(15)19(22-20)14-8-6-5-7-9-14;/h5-11H,12-13H2,1-4H3;1H.
What are the key properties of 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride?
3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride is sourced from PubChem (CID 22344374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).