N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide

C22H19FN4O4S — CID 108789607

IUPACN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C22H19FN4O4S/c1-12-10-19(18-11-15(23)4-9-20(18)24-12)21(28)25-16-5-7-17(8-6-16)32(29,30)27-22-13(2)14(3)26-31-22/h4-11,27H,1-3H3,(H,25,28)
InChIKeyZLVJXBYUDOWKRR-UHFFFAOYSA-N
MW454.48 g/mol
LogP4.34
Rot. Bonds5

About N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide (PubChem CID 108789607) has the molecular formula C22H19FN4O4S and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide
PubChem CID108789607
Molecular FormulaC22H19FN4O4S
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC NameN-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C22H19FN4O4S/c1-12-10-19(18-11-15(23)4-9-20(18)24-12)21(28)25-16-5-7-17(8-6-16)32(29,30)27-22-13(2)14(3)26-31-22/h4-11,27H,1-3H3,(H,25,28)
InChIKeyZLVJXBYUDOWKRR-UHFFFAOYSA-N
XLogP4.34
TPSA114.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4,6-dimethylpyridine-2-carboxamide
CID 19224388
6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 108802533
2-N,6-N-bis[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]pyridine-2,6-dicarboxamide
CID 4119855
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 108788199
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 5046522
3-bromo-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 1184444
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 1107623
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-4-ethylbenzamide
CID 19225858
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6,8-dimethyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 1261290
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559
3-cyano-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]benzamide
CID 108797463
6-fluoro-N-(3-hydroxyphenyl)-2-methylquinoline-4-carboxamide
CID 108789542

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide (CID 108789607) is N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c2cc(F)ccc2n1.
What is the InChIKey of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide?
The InChIKey is ZLVJXBYUDOWKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S/c1-12-10-19(18-11-15(23)4-9-20(18)24-12)21(28)25-16-5-7-17(8-6-16)32(29,30)27-22-13(2)14(3)26-31-22/h4-11,27H,1-3H3,(H,25,28).
What are the key properties of N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide?
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 108789607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).