1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline

C22H31NO2 — CID 22343871

IUPAC1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(C1CCCCC1)=NC(C)(C)C2
InChIInChI=1S/C22H31NO2/c1-21(2)12-15-11-17(24-5)20-16(13-22(3,4)25-20)18(15)19(23-21)14-9-7-6-8-10-14/h11,14H,6-10,12-13H2,1-5H3
InChIKeyBBRPZFHRRVQNJT-UHFFFAOYSA-N
MW341.50 g/mol
LogP5.11
Rot. Bonds2

About 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline

1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline (PubChem CID 22343871) has the molecular formula C22H31NO2 and a molecular weight of 341.50 g/mol. Its IUPAC name is 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline.

Molecular Properties

Compound Name1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline
PubChem CID22343871
Molecular FormulaC22H31NO2
Molecular Weight341.50 g/mol
Exact Mass341.24
IUPAC Name1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline
SMILESCOc1cc2c(c3c1OC(C)(C)C3)C(C1CCCCC1)=NC(C)(C)C2
InChIInChI=1S/C22H31NO2/c1-21(2)12-15-11-17(24-5)20-16(13-22(3,4)25-20)18(15)19(23-21)14-9-7-6-8-10-14/h11,14H,6-10,12-13H2,1-5H3
InChIKeyBBRPZFHRRVQNJT-UHFFFAOYSA-N
XLogP5.11
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.50
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)-phenylmethanone
CID 22344292
6-methoxy-3,3,8,8-tetramethyl-1-(4-methylsulfinylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343852
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-methylsulfanylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343964
6-methoxy-1-(4-methoxyphenyl)-8,8-dimethylspiro[4,9-dihydrofuro[2,3-h]isoquinoline-3,1'-cyclohexane]
CID 22343932
6-methoxy-3,3,8,8-tetramethyl-1-(3-methylsulfonylphenyl)-4,9-dihydrofuro[2,3-h]isoquinoline
CID 22343940
2-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]-2-methylpropanoic acid
CID 22343838
N-[4-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]phenyl]methanesulfonamide
CID 22344007
1-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]imidazolidin-2-one
CID 22344067
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)benzamide
CID 22344223
3-amino-N-[3-(6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinolin-1-yl)phenyl]propanamide
CID 23076991

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline?
The IUPAC name of 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline (CID 22343871) is 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline.
What is the SMILES notation for 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline?
The canonical SMILES for 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline is COc1cc2c(c3c1OC(C)(C)C3)C(C1CCCCC1)=NC(C)(C)C2.
What is the InChIKey of 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline?
The InChIKey is BBRPZFHRRVQNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO2/c1-21(2)12-15-11-17(24-5)20-16(13-22(3,4)25-20)18(15)19(23-21)14-9-7-6-8-10-14/h11,14H,6-10,12-13H2,1-5H3.
What are the key properties of 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline?
1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline has a molecular weight of 341.50 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-6-methoxy-3,3,8,8-tetramethyl-4,9-dihydrofuro[2,3-h]isoquinoline is sourced from PubChem (CID 22343871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).