6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide

C20H20FN3O4S — CID 71824060

IUPAC6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2c(C)cc(F)cc12
InChIInChI=1S/C20H20FN3O4S/c1-12-9-14(21)10-16-18(28-2)11-17(24-19(12)16)20(25)23-8-7-13-3-5-15(6-4-13)29(22,26)27/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyRHEWRWAFOCWHPF-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.31
Rot. Bonds6

About 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide

6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide (PubChem CID 71824060) has the molecular formula C20H20FN3O4S and a molecular weight of 417.46 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide
PubChem CID71824060
Molecular FormulaC20H20FN3O4S
Molecular Weight417.46 g/mol
Exact Mass417.12
IUPAC Name6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide
SMILESCOc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2c(C)cc(F)cc12
InChIInChI=1S/C20H20FN3O4S/c1-12-9-14(21)10-16-18(28-2)11-17(24-19(12)16)20(25)23-8-7-13-3-5-15(6-4-13)29(22,26)27/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)(H2,22,26,27)
InChIKeyRHEWRWAFOCWHPF-UHFFFAOYSA-N
XLogP2.31
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-methoxyethylamino)-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109364662
6-fluoro-2-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-4-carboxamide
CID 108789667
2-(2-methoxyethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109323530
4-ethoxy-6-fluoro-N-(3-methoxypropyl)-8-methylquinoline-2-carboxamide
CID 50844702
4-(111C)methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 56961355
2-(cyclopropylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109319696
2-(diethylamino)-6-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109331655
2-chloro-6-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84576032
5-fluoro-3-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 9080530
4-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]benzenesulfonyl chloride
CID 154181600
3,5-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 2683013
2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 84580650

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide?
The IUPAC name of 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide (CID 71824060) is 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide is COc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)nc2c(C)cc(F)cc12.
What is the InChIKey of 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide?
The InChIKey is RHEWRWAFOCWHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O4S/c1-12-9-14(21)10-16-18(28-2)11-17(24-19(12)16)20(25)23-8-7-13-3-5-15(6-4-13)29(22,26)27/h3-6,9-11H,7-8H2,1-2H3,(H,23,25)(H2,22,26,27).
What are the key properties of 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide?
6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-8-methyl-N-[2-(4-sulfamoylphenyl)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 71824060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).