N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide

C19H20N2O5S — CID 666374

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H20N2O5S/c1-25-16-6-4-15(5-7-16)21(27(3,23)24)12-14-10-13-11-17(26-2)8-9-18(13)20-19(14)22/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyDSRLDEFEGSGTBX-UHFFFAOYSA-N
MW388.45 g/mol
LogP2.51
Rot. Bonds6

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide (PubChem CID 666374) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide
PubChem CID666374
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide
SMILESCOc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(C)(=O)=O)cc1
InChIInChI=1S/C19H20N2O5S/c1-25-16-6-4-15(5-7-16)21(27(3,23)24)12-14-10-13-11-17(26-2)8-9-18(13)20-19(14)22/h4-11H,12H2,1-3H3,(H,20,22)
InChIKeyDSRLDEFEGSGTBX-UHFFFAOYSA-N
XLogP2.51
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cilostamide
CID 2753
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 862743
2-[(2,6-Dimethyl-phenyl)-methanesulfonyl-amino]-N-(4-methoxy-phenyl)-acetamide
CID 1108138
4-(((4-Methoxyphenyl)amino)methyl)quinolin-2-ol
CID 1850508
3-[(2,4-dimethylanilino)methyl]-6-methoxy-1H-quinolin-2-one
CID 941920
3-Quinolinecarboxamide, 1,2-dihydro-4-hydroxy-N-(4-methoxyphenyl)-1-methyl-2-oxo-
CID 54676680
2-Hydroxy-6-methoxyquinoline
CID 228268
N-(2-Hydroxy-6-methoxy-quinolin-3-ylmethyl)-N-p-tolyl-propionamide
CID 1091906
2-[(4-Ethoxy-phenyl)-methanesulfonyl-amino]-N-m-tolyl-acetamide
CID 1106302
N-(2-Hydroxy-quinolin-3-ylmethyl)-N-(2-methoxy-phenyl)-propionamide
CID 1420298
N-(4-methoxyphenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
CID 2988836
N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 663963

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide (CID 666374) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide is COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide?
The InChIKey is DSRLDEFEGSGTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-25-16-6-4-15(5-7-16)21(27(3,23)24)12-14-10-13-11-17(26-2)8-9-18(13)20-19(14)22/h4-11H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide has a molecular weight of 388.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methoxyphenyl)methanesulfonamide is sourced from PubChem (CID 666374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).