1-benzothiophen-2-yl(quinolin-6-yl)methanone

Name: 1-benzothiophen-2-yl(quinolin-6-yl)methanone — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₁₁NOS — CID 115790588

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-benzothiophen-2-yl(quinolin-6-yl)methanone

SMILESO=C(c1ccc2ncccc2c1)c1cc2ccccc2s1

InChIInChI=1S/C18H11NOS/c20-18(17-11-13-4-1-2-6-16(13)21-17)14-7-8-15-12(10-14)5-3-9-19-15/h1-11H

InChIKeyIHJXWKKVHCXXIU-UHFFFAOYSA-N

MW289.36 g/mol

LogP4.68

Rot. Bonds2

About 1-benzothiophen-2-yl(quinolin-6-yl)methanone

1-benzothiophen-2-yl(quinolin-6-yl)methanone (PubChem CID 115790588) has the molecular formula C₁₈H₁₁NOS and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(quinolin-6-yl)methanone.

Molecular Properties

Compound Name	1-benzothiophen-2-yl(quinolin-6-yl)methanone
PubChem CID	115790588
Molecular Formula	C₁₈H₁₁NOS
Molecular Weight	289.36 g/mol
Exact Mass	289.06
IUPAC Name	1-benzothiophen-2-yl(quinolin-6-yl)methanone
SMILES	O=C(c1ccc2ncccc2c1)c1cc2ccccc2s1
InChI	InChI=1S/C18H11NOS/c20-18(17-11-13-4-1-2-6-16(13)21-17)14-7-8-15-12(10-14)5-3-9-19-15/h1-11H
InChIKey	IHJXWKKVHCXXIU-UHFFFAOYSA-N
XLogP	4.68
TPSA	29.96 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	2
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.36
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(quinolin-6-yl)methanone?

The IUPAC name of 1-benzothiophen-2-yl(quinolin-6-yl)methanone (CID 115790588) is 1-benzothiophen-2-yl(quinolin-6-yl)methanone.

What is the SMILES notation for 1-benzothiophen-2-yl(quinolin-6-yl)methanone?

The canonical SMILES for 1-benzothiophen-2-yl(quinolin-6-yl)methanone is O=C(c1ccc2ncccc2c1)c1cc2ccccc2s1.

What is the InChIKey of 1-benzothiophen-2-yl(quinolin-6-yl)methanone?

The InChIKey is IHJXWKKVHCXXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NOS/c20-18(17-11-13-4-1-2-6-16(13)21-17)14-7-8-15-12(10-14)5-3-9-19-15/h1-11H.

What are the key properties of 1-benzothiophen-2-yl(quinolin-6-yl)methanone?

1-benzothiophen-2-yl(quinolin-6-yl)methanone has a molecular weight of 289.36 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzothiophen-2-yl(quinolin-6-yl)methanone is sourced from PubChem (CID 115790588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115790588 — identifiers, structure, computed properties (public domain)

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