7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol

C21H21NO2S — CID 175409118

IUPAC7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(Cc1ccc(-c3ccccc3)s1)C2
InChIInChI=1S/C21H21NO2S/c1-24-20-12-17-13-22(10-9-16(17)11-19(20)23)14-18-7-8-21(25-18)15-5-3-2-4-6-15/h2-8,11-12,23H,9-10,13-14H2,1H3
InChIKeyFDPKWMBQRMCVGI-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.69
Rot. Bonds4

About 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol

7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (PubChem CID 175409118) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.

Molecular Properties

Compound Name7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
PubChem CID175409118
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
SMILESCOc1cc2c(cc1O)CCN(Cc1ccc(-c3ccccc3)s1)C2
InChIInChI=1S/C21H21NO2S/c1-24-20-12-17-13-22(10-9-16(17)11-19(20)23)14-18-7-8-21(25-18)15-5-3-2-4-6-15/h2-8,11-12,23H,9-10,13-14H2,1H3
InChIKeyFDPKWMBQRMCVGI-UHFFFAOYSA-N
XLogP4.69
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methoxy-2-[2-(5-phenylthiophen-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409087
2-benzyl-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 24953254
7-methoxy-2-[(2-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol
CID 25073098
2-[(3,5-difluorophenyl)methyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 91227364
7-methoxy-2-(3-sulfanylpropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 175409105
2-[2-(3,4-dimethoxyphenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453580
2-[3-(3-chlorophenyl)prop-2-ynyl]-6-methoxy-3,4-dihydro-1H-isoquinolin-7-ol
CID 68917206
2-[2-(4-fluorophenyl)ethyl]-7-methoxy-3,4-dihydro-1H-isoquinolin-6-ol
CID 71453579
6-[[5-(3-methoxyphenyl)thiophen-2-yl]methyl]-2-methylsulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915647
2-benzyl-7-methoxy-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline
CID 25071224
6,7-dimethoxy-2-(thiophen-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 3772747
6,7-dimethoxy-2-[(7-methoxy-2-phenyl-1-benzofuran-4-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 16725934

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The IUPAC name of 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol (CID 175409118) is 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol.
What is the SMILES notation for 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The canonical SMILES for 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is COc1cc2c(cc1O)CCN(Cc1ccc(-c3ccccc3)s1)C2.
What is the InChIKey of 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
The InChIKey is FDPKWMBQRMCVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-24-20-12-17-13-22(10-9-16(17)11-19(20)23)14-18-7-8-21(25-18)15-5-3-2-4-6-15/h2-8,11-12,23H,9-10,13-14H2,1H3.
What are the key properties of 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol?
7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol has a molecular weight of 351.47 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(5-phenylthiophen-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-ol is sourced from PubChem (CID 175409118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).