6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline

C18H21NO2S — CID 59626596

IUPAC6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC(C)C)C(Cc1cccs1)=NCC2
InChIInChI=1S/C18H21NO2S/c1-12(2)21-18-11-15-13(9-17(18)20-3)6-7-19-16(15)10-14-5-4-8-22-14/h4-5,8-9,11-12H,6-7,10H2,1-3H3
InChIKeyUFDLCGLLPHVNRN-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.13
Rot. Bonds5

About 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline

6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline (PubChem CID 59626596) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline
PubChem CID59626596
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline
SMILESCOc1cc2c(cc1OC(C)C)C(Cc1cccs1)=NCC2
InChIInChI=1S/C18H21NO2S/c1-12(2)21-18-11-15-13(9-17(18)20-3)6-7-19-16(15)10-14-5-4-8-22-14/h4-5,8-9,11-12H,6-7,10H2,1-3H3
InChIKeyUFDLCGLLPHVNRN-UHFFFAOYSA-N
XLogP4.13
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(7-bromooxy-6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-2-methoxyphenyl] hypobromite
CID 53297789
1-[[3,4-di(propan-2-yloxy)phenyl]methyl]-6,7-diethoxy-3,4-dihydroisoquinoline
CID 3052866
(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methanamine
CID 16637178
1-[(3,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 134120705
1-(2-bromoethyl)-6,7-dimethoxy-3,4-dihydroisoquinoline
CID 91664959
1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;methanesulfonic acid
CID 71321713
ethyl 7-methoxy-8-propan-2-yloxy-1-thiophen-2-yl-4,5-dihydrobenzo[g]indazole-3-carboxylate
CID 58124993
4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-6-methylchromen-2-one
CID 46933738
2-[(3R,4S)-3-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-1-(thiophene-2-carbonyl)piperidin-4-yl]acetic acid
CID 51136610
2-(dimethylamino)-1-(8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one
CID 66925776
2-[(3,4-dimethoxyphenyl)methyl]thiophene
CID 175110025
N-tert-butyl-N-ethyl-8-methoxy-9-propan-2-yloxy-1-thiophen-2-yl-5,6-dihydroimidazo[5,1-a]isoquinoline-3-carboxamide
CID 67530240

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline?
The IUPAC name of 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline (CID 59626596) is 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline.
What is the SMILES notation for 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline?
The canonical SMILES for 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline is COc1cc2c(cc1OC(C)C)C(Cc1cccs1)=NCC2.
What is the InChIKey of 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline?
The InChIKey is UFDLCGLLPHVNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-12(2)21-18-11-15-13(9-17(18)20-3)6-7-19-16(15)10-14-5-4-8-22-14/h4-5,8-9,11-12H,6-7,10H2,1-3H3.
What are the key properties of 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline?
6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline has a molecular weight of 315.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-propan-2-yloxy-1-(thiophen-2-ylmethyl)-3,4-dihydroisoquinoline is sourced from PubChem (CID 59626596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).