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

C23H28ClNOS — CID 22343781

IUPAC6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
SMILESCCSc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2.Cl
InChIInChI=1S/C23H27NOS.ClH/c1-6-26-18-12-16-13-22(2,3)24-20(15-10-8-7-9-11-15)19(16)17-14-23(4,5)25-21(17)18;/h7-12H,6,13-14H2,1-5H3;1H
InChIKeyFCWYARLGYHQPIV-UHFFFAOYSA-N
MW402.00 g/mol
LogP6.11
Rot. Bonds3

About 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride

6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride (PubChem CID 22343781) has the molecular formula C23H28ClNOS and a molecular weight of 402.00 g/mol. Its IUPAC name is 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride.

Molecular Properties

Compound Name6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
PubChem CID22343781
Molecular FormulaC23H28ClNOS
Molecular Weight402.00 g/mol
Exact Mass401.16
IUPAC Name6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
SMILESCCSc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2.Cl
InChIInChI=1S/C23H27NOS.ClH/c1-6-26-18-12-16-13-22(2,3)24-20(15-10-8-7-9-11-15)19(16)17-14-23(4,5)25-21(17)18;/h7-12H,6,13-14H2,1-5H3;1H
InChIKeyFCWYARLGYHQPIV-UHFFFAOYSA-N
XLogP6.11
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.00
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

3-(6-ethylsulfanyl-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoic acid
CID 22344397
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-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride
CID 22344374
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
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343964
6-methoxy-3,3,8,8-tetramethyl-1-(3-pyridin-2-ylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343794
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
2-amino-4-(6-ethoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzoic acid
CID 23076869
2-chloro-N-[3-(6-ethoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]acetamide
CID 22344025

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride?
The IUPAC name of 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride (CID 22343781) is 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride.
What is the SMILES notation for 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride?
The canonical SMILES for 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride is CCSc1cc2c(c3c1OC(C)(C)C3)C(c1ccccc1)=NC(C)(C)C2.Cl.
What is the InChIKey of 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride?
The InChIKey is FCWYARLGYHQPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NOS.ClH/c1-6-26-18-12-16-13-22(2,3)24-20(15-10-8-7-9-11-15)19(16)17-14-23(4,5)25-21(17)18;/h7-12H,6,13-14H2,1-5H3;1H.
What are the key properties of 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride?
6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride has a molecular weight of 402.00 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-3,3,8,8-tetramethyl-1-phenyl-4,9-dihydrofuro[2,3-h]isoquinoline;hydrochloride is sourced from PubChem (CID 22343781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).