4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

C18H17NOS — CID 68997664

IUPAC4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1Cc2cc(O)ccc2C(c2ccc3sccc3c2)C1
InChIInChI=1S/C18H17NOS/c1-19-10-14-9-15(20)3-4-16(14)17(11-19)12-2-5-18-13(8-12)6-7-21-18/h2-9,17,20H,10-11H2,1H3
InChIKeyZDZGDSLKDOSHHZ-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.18
Rot. Bonds1

About 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (PubChem CID 68997664) has the molecular formula C18H17NOS and a molecular weight of 295.41 g/mol. Its IUPAC name is 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.

Molecular Properties

Compound Name4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
PubChem CID68997664
Molecular FormulaC18H17NOS
Molecular Weight295.41 g/mol
Exact Mass295.10
IUPAC Name4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol
SMILESCN1Cc2cc(O)ccc2C(c2ccc3sccc3c2)C1
InChIInChI=1S/C18H17NOS/c1-19-10-14-9-15(20)3-4-16(14)17(11-19)12-2-5-18-13(8-12)6-7-21-18/h2-9,17,20H,10-11H2,1H3
InChIKeyZDZGDSLKDOSHHZ-UHFFFAOYSA-N
XLogP4.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The IUPAC name of 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol (CID 68997664) is 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol.
What is the SMILES notation for 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The canonical SMILES for 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is CN1Cc2cc(O)ccc2C(c2ccc3sccc3c2)C1.
What is the InChIKey of 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
The InChIKey is ZDZGDSLKDOSHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NOS/c1-19-10-14-9-15(20)3-4-16(14)17(11-19)12-2-5-18-13(8-12)6-7-21-18/h2-9,17,20H,10-11H2,1H3.
What are the key properties of 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol?
4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol has a molecular weight of 295.41 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-5-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol is sourced from PubChem (CID 68997664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).