1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide

C20H23FN2O3S — CID 135192143

IUPAC1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide
SMILESCCCn1c(=O)ccc2cc(NS(=O)(=O)CC3=C(F)C=C(C)CC3)ccc21
InChIInChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h6-9,11-12,22H,3-5,10,13H2,1-2H3
InChIKeyGUIKOLFYLIILSG-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.12
Rot. Bonds6

About 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide

1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide (PubChem CID 135192143) has the molecular formula C20H23FN2O3S and a molecular weight of 390.48 g/mol. Its IUPAC name is 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide
PubChem CID135192143
Molecular FormulaC20H23FN2O3S
Molecular Weight390.48 g/mol
Exact Mass390.14
IUPAC Name1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide
SMILESCCCn1c(=O)ccc2cc(NS(=O)(=O)CC3=C(F)C=C(C)CC3)ccc21
InChIInChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h6-9,11-12,22H,3-5,10,13H2,1-2H3
InChIKeyGUIKOLFYLIILSG-UHFFFAOYSA-N
XLogP4.12
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide (CID 135192143) is 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide is CCCn1c(=O)ccc2cc(NS(=O)(=O)CC3=C(F)C=C(C)CC3)ccc21.
What is the InChIKey of 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide?
The InChIKey is GUIKOLFYLIILSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-15(19)6-9-20(23)24)22-27(25,26)13-16-5-4-14(2)11-18(16)21/h6-9,11-12,22H,3-5,10,13H2,1-2H3.
What are the key properties of 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide?
1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide has a molecular weight of 390.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methylcyclohexa-1,3-dien-1-yl)-N-(2-oxo-1-propylquinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 135192143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).