1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide

C22H25FN2O3S — CID 138106712

IUPAC1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(C4CC4)cc3)cc(F)c21
InChIInChI=1S/C22H25FN2O3S/c1-3-25-21(26)10-14(2)19-11-18(12-20(23)22(19)25)24-29(27,28)13-15-4-6-16(7-5-15)17-8-9-17/h4-7,11-12,14,17,24H,3,8-10,13H2,1-2H3
InChIKeyOUYOXSXPARDQKN-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.51
Rot. Bonds6

About 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide

1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide (PubChem CID 138106712) has the molecular formula C22H25FN2O3S and a molecular weight of 416.52 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
PubChem CID138106712
Molecular FormulaC22H25FN2O3S
Molecular Weight416.52 g/mol
Exact Mass416.16
IUPAC Name1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
SMILESCCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(C4CC4)cc3)cc(F)c21
InChIInChI=1S/C22H25FN2O3S/c1-3-25-21(26)10-14(2)19-11-18(12-20(23)22(19)25)24-29(27,28)13-15-4-6-16(7-5-15)17-8-9-17/h4-7,11-12,14,17,24H,3,8-10,13H2,1-2H3
InChIKeyOUYOXSXPARDQKN-UHFFFAOYSA-N
XLogP4.51
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide with MolForge

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Related Compounds

1-(6-chloro-3-pyridinyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide
CID 126637110
N-(1-ethyl-7-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
CID 126622098
1-(4-cyclopropylphenyl)-N-[(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)methyl]methanesulfonamide
CID 138673290
N-[3-[2-[4-[(1-ethyl-8-fluoro-4-methyl-2-oxo-4H-3,1-benzoxazin-6-yl)sulfamoylmethyl]phenyl]ethyl]-2-oxo-1-propyl-4H-quinazolin-6-yl]-1-(4-methylphenyl)methanesulfonamide
CID 134201369
N-(1-ethyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 40889539
N-(1-ethyl-8-ethynyl-2-oxo-3,4-dihydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide
CID 126636851
(3R)-1-ethyl-3-[4-(4-fluorophenyl)piperidin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 7357558
3-[(5-bromo-2-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione
CID 61299860
1-(4-chlorophenyl)-N-(4-methylsulfanylphenyl)methanesulfonamide
CID 110778592
1-(4-fluorophenyl)-N-(5-fluoro-3-pyridinyl)methanesulfonamide
CID 110872384
1-[4-(aminomethyl)phenyl]-N-(3-fluoro-4-methylphenyl)methanesulfonamide
CID 29034630
1-(4-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342517

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide (CID 138106712) is 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide is CCN1C(=O)CC(C)c2cc(NS(=O)(=O)Cc3ccc(C4CC4)cc3)cc(F)c21.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
The InChIKey is OUYOXSXPARDQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O3S/c1-3-25-21(26)10-14(2)19-11-18(12-20(23)22(19)25)24-29(27,28)13-15-4-6-16(7-5-15)17-8-9-17/h4-7,11-12,14,17,24H,3,8-10,13H2,1-2H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide?
1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-(1-ethyl-8-fluoro-4-methyl-2-oxo-3,4-dihydroquinolin-6-yl)methanesulfonamide is sourced from PubChem (CID 138106712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).