1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone

C19H16FNO2S — CID 4201060

IUPAC1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone
SMILESCOc1ccc2c(C)cc(SCC(=O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H16FNO2S/c1-12-9-19(21-17-10-15(23-2)7-8-16(12)17)24-11-18(22)13-3-5-14(20)6-4-13/h3-10H,11H2,1-2H3
InChIKeyFDKJTXLPKLVNIK-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.67
Rot. Bonds5

About 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone

1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone (PubChem CID 4201060) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone
PubChem CID4201060
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone
SMILESCOc1ccc2c(C)cc(SCC(=O)c3ccc(F)cc3)nc2c1
InChIInChI=1S/C19H16FNO2S/c1-12-9-19(21-17-10-15(23-2)7-8-16(12)17)24-11-18(22)13-3-5-14(20)6-4-13/h3-10H,11H2,1-2H3
InChIKeyFDKJTXLPKLVNIK-UHFFFAOYSA-N
XLogP4.67
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone (CID 4201060) is 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone is COc1ccc2c(C)cc(SCC(=O)c3ccc(F)cc3)nc2c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone?
The InChIKey is FDKJTXLPKLVNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-12-9-19(21-17-10-15(23-2)7-8-16(12)17)24-11-18(22)13-3-5-14(20)6-4-13/h3-10H,11H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone?
1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone has a molecular weight of 341.41 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(7-methoxy-4-methylquinolin-2-yl)sulfanylethanone is sourced from PubChem (CID 4201060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).