1-benzothiophen-2-yl(quinolin-7-yl)methanone

C18H11NOS — CID 115791003

IUPAC1-benzothiophen-2-yl(quinolin-7-yl)methanone
SMILESO=C(c1ccc2cccnc2c1)c1cc2ccccc2s1
InChIInChI=1S/C18H11NOS/c20-18(17-11-13-4-1-2-6-16(13)21-17)14-8-7-12-5-3-9-19-15(12)10-14/h1-11H
InChIKeyCOQCZLIUDNQSLN-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.68
Rot. Bonds2

About 1-benzothiophen-2-yl(quinolin-7-yl)methanone

1-benzothiophen-2-yl(quinolin-7-yl)methanone (PubChem CID 115791003) has the molecular formula C18H11NOS and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(quinolin-7-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl(quinolin-7-yl)methanone
PubChem CID115791003
Molecular FormulaC18H11NOS
Molecular Weight289.36 g/mol
Exact Mass289.06
IUPAC Name1-benzothiophen-2-yl(quinolin-7-yl)methanone
SMILESO=C(c1ccc2cccnc2c1)c1cc2ccccc2s1
InChIInChI=1S/C18H11NOS/c20-18(17-11-13-4-1-2-6-16(13)21-17)14-8-7-12-5-3-9-19-15(12)10-14/h1-11H
InChIKeyCOQCZLIUDNQSLN-UHFFFAOYSA-N
XLogP4.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzothiophen-2-yl(quinolin-6-yl)methanone
CID 115790588
(4,5-dimethylthiophen-2-yl)-quinolin-7-ylmethanone
CID 115790953
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408
(4-aminophenyl)-quinolin-7-ylmethanone
CID 116548753
(2-fluorophenyl)-quinolin-7-ylmethanone
CID 81220480
quinolin-7-yl(1,3-thiazol-4-yl)methanone
CID 81220206
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
(2-amino-5-bromophenyl)-quinolin-7-ylmethanone
CID 82704143
1-benzothiophen-2-yl(pyrazin-2-yl)methanone
CID 114973147
(5-methylfuran-3-yl)-quinolin-7-ylmethanone
CID 115790931

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(quinolin-7-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl(quinolin-7-yl)methanone (CID 115791003) is 1-benzothiophen-2-yl(quinolin-7-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl(quinolin-7-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl(quinolin-7-yl)methanone is O=C(c1ccc2cccnc2c1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl(quinolin-7-yl)methanone?
The InChIKey is COQCZLIUDNQSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NOS/c20-18(17-11-13-4-1-2-6-16(13)21-17)14-8-7-12-5-3-9-19-15(12)10-14/h1-11H.
What are the key properties of 1-benzothiophen-2-yl(quinolin-7-yl)methanone?
1-benzothiophen-2-yl(quinolin-7-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-7-yl)methanone is sourced from PubChem (CID 115791003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).