4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide

C19H18FN3O4S — CID 11350199

IUPAC4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3c(C)cc(S(C)(=O)=O)cc23)ccc1F
InChIInChI=1S/C19H18FN3O4S/c1-10-6-12(28(3,25)26)8-13-17(10)22-9-14(19(21)24)18(13)23-11-4-5-15(20)16(7-11)27-2/h4-9H,1-3H3,(H2,21,24)(H,22,23)
InChIKeyZGGYYJWHVXXQEL-UHFFFAOYSA-N
MW403.44 g/mol
LogP2.94
Rot. Bonds5

About 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide

4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11350199) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11350199
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC Name4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
SMILESCOc1cc(Nc2c(C(N)=O)cnc3c(C)cc(S(C)(=O)=O)cc23)ccc1F
InChIInChI=1S/C19H18FN3O4S/c1-10-6-12(28(3,25)26)8-13-17(10)22-9-14(19(21)24)18(13)23-11-4-5-15(20)16(7-11)27-2/h4-9H,1-3H3,(H2,21,24)(H,22,23)
InChIKeyZGGYYJWHVXXQEL-UHFFFAOYSA-N
XLogP2.94
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-fluoro-3-methoxyanilino)-6,8-dimethylquinoline-3-carboxamide
CID 58505056
6-[3-(dimethylamino)-3-oxopropyl]sulfonyl-4-(4-fluoro-3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11156025
6-[3-(dimethylamino)-3-oxopropyl]sulfonyl-4-(4-fluoro-3-methoxyanilino)-8-methylquinoline-3-carboxamide;hydrochloride
CID 67424115
4-(4-fluoro-3-methoxyanilino)-8-methyl-6-(morpholine-4-carbonyl)quinoline-3-carboxamide
CID 11328073
6-[2-(dimethylamino)ethylsulfinyl]-4-(4-fluoro-3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 142969697
4-(3,5-difluoroanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide;4-[(5-fluoro-3-pyridinyl)amino]-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 66973980
4-(3-fluoroanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11271250
4-(3-methoxyanilino)-6-(4-methoxyphenyl)sulfonyl-8-methylquinoline-3-carboxamide
CID 11225327
4,8-dimethyl-6-methylsulfonylquinoline-3-carboxamide
CID 58826185
2-tert-butyl-4-[3-carbamoyl-4-(4-fluoro-3-methoxyanilino)-8-methylquinolin-6-yl]sulfanylpiperidine-1-carboxylic acid
CID 69250993
6-(2-acetamidoethylsulfonyl)-4-(3-methoxyanilino)-8-methylquinoline-3-carboxamide
CID 11363067
4-(3-methoxyanilino)-8-methyl-6-[3-(methylcarbamoyl)phenyl]sulfonylquinoline-3-carboxamide
CID 91970465

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide (CID 11350199) is 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide is COc1cc(Nc2c(C(N)=O)cnc3c(C)cc(S(C)(=O)=O)cc23)ccc1F.
What is the InChIKey of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is ZGGYYJWHVXXQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-10-6-12(28(3,25)26)8-13-17(10)22-9-14(19(21)24)18(13)23-11-4-5-15(20)16(7-11)27-2/h4-9H,1-3H3,(H2,21,24)(H,22,23).
What are the key properties of 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide?
4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methoxyanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11350199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).