1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide

C18H17FN2O4S — CID 110324844

IUPAC1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)Cc3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C18H17FN2O4S/c1-25-16-7-4-13-8-14(18(22)21-17(13)9-16)10-20-26(23,24)11-12-2-5-15(19)6-3-12/h2-9,20H,10-11H2,1H3,(H,21,22)
InChIKeyIKZBFJODWVUAJM-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.30
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide

1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (PubChem CID 110324844) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
PubChem CID110324844
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
SMILESCOc1ccc2cc(CNS(=O)(=O)Cc3ccc(F)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C18H17FN2O4S/c1-25-16-7-4-13-8-14(18(22)21-17(13)9-16)10-20-26(23,24)11-12-2-5-15(19)6-3-12/h2-9,20H,10-11H2,1H3,(H,21,22)
InChIKeyIKZBFJODWVUAJM-UHFFFAOYSA-N
XLogP2.30
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110780743
2-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324772
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
1-(2-chlorophenyl)-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 110324969
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
2-bromo-N-[(4-fluorophenyl)methyl]-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164018
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-nitrobenzenesulfonamide
CID 110324856
3-[(4-fluoroanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 856495
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
7-methoxy-3-[[(4-piperidin-1-ylsulfonylphenyl)methylamino]methyl]-1H-quinolin-2-one
CID 171536071
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164040

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide (CID 110324844) is 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is COc1ccc2cc(CNS(=O)(=O)Cc3ccc(F)cc3)c(=O)[nH]c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
The InChIKey is IKZBFJODWVUAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-25-16-7-4-13-8-14(18(22)21-17(13)9-16)10-20-26(23,24)11-12-2-5-15(19)6-3-12/h2-9,20H,10-11H2,1H3,(H,21,22).
What are the key properties of 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide is sourced from PubChem (CID 110324844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).