1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone

C20H15NO2S — CID 2493207

IUPAC1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone
SMILESCc1cc(SCC(=O)c2cc3ccccc3o2)nc2ccccc12
InChIInChI=1S/C20H15NO2S/c1-13-10-20(21-16-8-4-3-7-15(13)16)24-12-17(22)19-11-14-6-2-5-9-18(14)23-19/h2-11H,12H2,1H3
InChIKeyLDEZHWFQZKSQEN-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.26
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone

1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone (PubChem CID 2493207) has the molecular formula C20H15NO2S and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone
PubChem CID2493207
Molecular FormulaC20H15NO2S
Molecular Weight333.41 g/mol
Exact Mass333.08
IUPAC Name1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone
SMILESCc1cc(SCC(=O)c2cc3ccccc3o2)nc2ccccc12
InChIInChI=1S/C20H15NO2S/c1-13-10-20(21-16-8-4-3-7-15(13)16)24-12-17(22)19-11-14-6-2-5-9-18(14)23-19/h2-11H,12H2,1H3
InChIKeyLDEZHWFQZKSQEN-UHFFFAOYSA-N
XLogP5.26
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone with MolForge

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Related Compounds

Methyl 5-[(4-methylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2098683
[2-(4-Methoxyphenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 1218255
1-(1,3-Benzodioxol-5-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 1228660
1-(1-Benzofuran-2-yl)-2-(1,3-benzothiazol-2-ylthio)ethanone
CID 1517496
Methyl 5-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2404039
Dimethyl-[2-(7-oxa-5-aza-benzo[c]fluoren-6-ylsulfanyl)-ethyl]-amine
CID 10336267
(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-thiophen-2-ylprop-2-en-1-one
CID 71570810
(E)-3-[3-(4-methoxyphenyl)quinolin-2-yl]-1-thiophen-3-ylprop-2-en-1-one
CID 71570954
Methyl 5-[(4,8-dimethylquinolin-2-yl)sulfanylmethyl]furan-2-carboxylate
CID 2566752
S-(1,3-benzothiazol-2-yl) 1-benzofuran-2-carbothioate
CID 168269351
2-(2-Methyl-1-benzofuran-3-yl)quinoline;perchloric acid
CID 24207056
1-[4-Methoxy-3-[(4-methylquinolin-2-yl)sulfanylmethyl]phenyl]ethanone
CID 737809

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone (CID 2493207) is 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone is Cc1cc(SCC(=O)c2cc3ccccc3o2)nc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone?
The InChIKey is LDEZHWFQZKSQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2S/c1-13-10-20(21-16-8-4-3-7-15(13)16)24-12-17(22)19-11-14-6-2-5-9-18(14)23-19/h2-11H,12H2,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone?
1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone has a molecular weight of 333.41 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(4-methylquinolin-2-yl)sulfanylethanone is sourced from PubChem (CID 2493207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).