2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline

C17H13NS — CID 146620903

IUPAC2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline
SMILESC1=Cc2ccc(-c3cc4ccccc4s3)nc2CC1
InChIInChI=1S/C17H13NS/c1-3-7-14-12(5-1)9-10-15(18-14)17-11-13-6-2-4-8-16(13)19-17/h1-2,4-6,8-11H,3,7H2
InChIKeyBXIUDVUOVJIYJL-UHFFFAOYSA-N
MW263.37 g/mol
LogP4.92
Rot. Bonds1

About 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline

2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline (PubChem CID 146620903) has the molecular formula C17H13NS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline.

Molecular Properties

Compound Name2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline
PubChem CID146620903
Molecular FormulaC17H13NS
Molecular Weight263.37 g/mol
Exact Mass263.08
IUPAC Name2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline
SMILESC1=Cc2ccc(-c3cc4ccccc4s3)nc2CC1
InChIInChI=1S/C17H13NS/c1-3-7-14-12(5-1)9-10-15(18-14)17-11-13-6-2-4-8-16(13)19-17/h1-2,4-6,8-11H,3,7H2
InChIKeyBXIUDVUOVJIYJL-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline?
The IUPAC name of 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline (CID 146620903) is 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline.
What is the SMILES notation for 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline?
The canonical SMILES for 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline is C1=Cc2ccc(-c3cc4ccccc4s3)nc2CC1.
What is the InChIKey of 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline?
The InChIKey is BXIUDVUOVJIYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NS/c1-3-7-14-12(5-1)9-10-15(18-14)17-11-13-6-2-4-8-16(13)19-17/h1-2,4-6,8-11H,3,7H2.
What are the key properties of 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline?
2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline has a molecular weight of 263.37 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-2-yl)-7,8-dihydroquinoline is sourced from PubChem (CID 146620903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).