4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

C18H16FNS — CID 68994272

IUPAC4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2cc3c(F)cccc3s2)C1
InChIInChI=1S/C18H16FNS/c1-20-10-12-5-2-3-6-13(12)15(11-20)18-9-14-16(19)7-4-8-17(14)21-18/h2-9,15H,10-11H2,1H3
InChIKeyZZKXWMBFRNFOPG-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.62
Rot. Bonds1

About 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline

4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 68994272) has the molecular formula C18H16FNS and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID68994272
Molecular FormulaC18H16FNS
Molecular Weight297.40 g/mol
Exact Mass297.10
IUPAC Name4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2ccccc2C(c2cc3c(F)cccc3s2)C1
InChIInChI=1S/C18H16FNS/c1-20-10-12-5-2-3-6-13(12)15(11-20)18-9-14-16(19)7-4-8-17(14)21-18/h2-9,15H,10-11H2,1H3
InChIKeyZZKXWMBFRNFOPG-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 68994272) is 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2ccccc2C(c2cc3c(F)cccc3s2)C1.
What is the InChIKey of 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is ZZKXWMBFRNFOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNS/c1-20-10-12-5-2-3-6-13(12)15(11-20)18-9-14-16(19)7-4-8-17(14)21-18/h2-9,15H,10-11H2,1H3.
What are the key properties of 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline?
4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 297.40 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-1-benzothiophen-2-yl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 68994272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).