8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide

C19H18FN3O3S — CID 11395088

IUPAC8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCCc1cc(S(C)(=O)=O)cc2c(Nc3cccc(F)c3)c(C(N)=O)cnc12
InChIInChI=1S/C19H18FN3O3S/c1-3-11-7-14(27(2,25)26)9-15-17(11)22-10-16(19(21)24)18(15)23-13-6-4-5-12(20)8-13/h4-10H,3H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyZAYCESWRXHROTJ-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.18
Rot. Bonds5

About 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide

8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide (PubChem CID 11395088) has the molecular formula C19H18FN3O3S and a molecular weight of 387.44 g/mol. Its IUPAC name is 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide.

Molecular Properties

Compound Name8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide
PubChem CID11395088
Molecular FormulaC19H18FN3O3S
Molecular Weight387.44 g/mol
Exact Mass387.11
IUPAC Name8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide
SMILESCCc1cc(S(C)(=O)=O)cc2c(Nc3cccc(F)c3)c(C(N)=O)cnc12
InChIInChI=1S/C19H18FN3O3S/c1-3-11-7-14(27(2,25)26)9-15-17(11)22-10-16(19(21)24)18(15)23-13-6-4-5-12(20)8-13/h4-10H,3H2,1-2H3,(H2,21,24)(H,22,23)
InChIKeyZAYCESWRXHROTJ-UHFFFAOYSA-N
XLogP3.18
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-(4-(methylsulfonyl)phenyl)-N-(1-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)ethyl)benzamide
CID 10197046
4-(3-Cyanoanilino)-8-methyl-6-methylsulfonylquinoline-3-carboxamide
CID 11406358
3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)-N-(pyridin-4-yl)benzamide
CID 21865580
N-(4-(methylsulfonyl)phenyl)-3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)benzamide
CID 21865627
2-methylsulfonyl-N-quinolin-5-ylbenzamide
CID 2474595
N-[(1S)-1-phenylpropyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 9889729
4-(3-Cyanoanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11314577
4-(3-Chloroanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 11394750
6-(Benzenesulfonyl)-4-(3-cyanoanilino)quinoline-3-carboxamide
CID 11430281
cFMS Receptor Inhibitor III
CID 25021199
4-[3-(Aminomethyl)anilino]-6-methylsulfonylquinoline-3-carboxamide
CID 44564774
4-(3-chloro-N-methylanilino)-6-methylsulfonylquinoline-3-carboxamide
CID 44564844

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide?
The IUPAC name of 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide (CID 11395088) is 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide.
What is the SMILES notation for 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide?
The canonical SMILES for 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide is CCc1cc(S(C)(=O)=O)cc2c(Nc3cccc(F)c3)c(C(N)=O)cnc12.
What is the InChIKey of 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide?
The InChIKey is ZAYCESWRXHROTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3S/c1-3-11-7-14(27(2,25)26)9-15-17(11)22-10-16(19(21)24)18(15)23-13-6-4-5-12(20)8-13/h4-10H,3H2,1-2H3,(H2,21,24)(H,22,23).
What are the key properties of 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide?
8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-4-(3-fluoroanilino)-6-methylsulfonylquinoline-3-carboxamide is sourced from PubChem (CID 11395088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).