2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone

C18H13NOS — CID 105080984

IUPAC2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone
SMILESO=C(c1cnc2ccccc2c1)C1CSc2ccccc21
InChIInChI=1S/C18H13NOS/c20-18(15-11-21-17-8-4-2-6-14(15)17)13-9-12-5-1-3-7-16(12)19-10-13/h1-10,15H,11H2
InChIKeyAYOVNIXMEHSUID-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.31
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone

2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone (PubChem CID 105080984) has the molecular formula C18H13NOS and a molecular weight of 291.38 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone
PubChem CID105080984
Molecular FormulaC18H13NOS
Molecular Weight291.38 g/mol
Exact Mass291.07
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone
SMILESO=C(c1cnc2ccccc2c1)C1CSc2ccccc21
InChIInChI=1S/C18H13NOS/c20-18(15-11-21-17-8-4-2-6-14(15)17)13-9-12-5-1-3-7-16(12)19-10-13/h1-10,15H,11H2
InChIKeyAYOVNIXMEHSUID-UHFFFAOYSA-N
XLogP4.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl(quinolin-6-yl)methanone
CID 105121584
cyclopentyl(quinolin-3-yl)methanone
CID 54861205
2,3-dihydro-1H-indol-3-yl(quinolin-3-yl)methanone
CID 116594537
6-bicyclo[3.1.0]hexanyl(quinolin-3-yl)methanone
CID 114963148
2,3-dihydro-1H-inden-2-yl(quinolin-3-yl)methanone
CID 65406841
2,3-dihydro-1-benzothiophen-3-yl-(3-methylphenyl)methanone
CID 105079264
quinoline-3-carboxamide;hydrofluoride
CID 174911514
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261
2,3-dihydro-1-benzothiophene-3-carboxamide
CID 78993611
quinoline-3-carboxylate
CID 4608508
2,3-dihydro-1-benzothiophen-3-yl-[4-(trifluoromethyl)phenyl]methanone
CID 105095519
pyrrolidin-3-yl(quinolin-3-yl)methanone
CID 116568242

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone (CID 105080984) is 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone is O=C(c1cnc2ccccc2c1)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone?
The InChIKey is AYOVNIXMEHSUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NOS/c20-18(15-11-21-17-8-4-2-6-14(15)17)13-9-12-5-1-3-7-16(12)19-10-13/h1-10,15H,11H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone?
2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone has a molecular weight of 291.38 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl(quinolin-3-yl)methanone is sourced from PubChem (CID 105080984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).