4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide

C23H18FN3O3S — CID 11328012

IUPAC4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccc(F)cc4)c(C(N)=O)cnc3c2)cc1
InChIInChI=1S/C23H18FN3O3S/c1-31(29,30)18-9-2-14(3-10-18)15-4-11-19-21(12-15)26-13-20(23(25)28)22(19)27-17-7-5-16(24)6-8-17/h2-13H,1H3,(H2,25,28)(H,26,27)
InChIKeyRTWBLNOSOIEHFD-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.29
Rot. Bonds5

About 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide

4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide (PubChem CID 11328012) has the molecular formula C23H18FN3O3S and a molecular weight of 435.48 g/mol. Its IUPAC name is 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide
PubChem CID11328012
Molecular FormulaC23H18FN3O3S
Molecular Weight435.48 g/mol
Exact Mass435.11
IUPAC Name4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide
SMILESCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccc(F)cc4)c(C(N)=O)cnc3c2)cc1
InChIInChI=1S/C23H18FN3O3S/c1-31(29,30)18-9-2-14(3-10-18)15-4-11-19-21(12-15)26-13-20(23(25)28)22(19)27-17-7-5-16(24)6-8-17/h2-13H,1H3,(H2,25,28)(H,26,27)
InChIKeyRTWBLNOSOIEHFD-UHFFFAOYSA-N
XLogP4.29
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-N-isopropyl-2-(4-(methylsulfonyl)phenyl)-3-(3-(6-(2-(methylsulfonyl)propan-2-yl)quinolin-8-yl)phenyl)acrylamide
CID 10210579
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
Losulazine
CID 54750
(E)-N-isopropyl-3-(3-(6-isopropylquinolin-8-yl)phenyl)-2-(4-(methylsulfonyl)phenyl)acrylamide
CID 22083784
6-cyano-N-[3-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)propyl]pyridine-3-carboxamide
CID 70690881
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164619096
N-[2-(2-fluorophenyl)-4-pyridinyl]-7-(4-methylsulfonylphenyl)quinolin-4-amine
CID 164625072
2-methylsulfonyl-N-quinolin-5-ylbenzamide
CID 2474595
4-[Pyridin-3-ylmethyl-(toluene-4-sulfonyl)-amino]-7-trifluoromethyl-quinoline-3-carboxylic acid hydroxyamide
CID 10118633
N-Hydroxy-4-[3-pyridinylmethyl(4-biphenylylsulfonyl)amino]-7-(trifluoromethyl)quinoline-3-carboxamide
CID 10120930

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
The IUPAC name of 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide (CID 11328012) is 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
The canonical SMILES for 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide is CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccc(F)cc4)c(C(N)=O)cnc3c2)cc1.
What is the InChIKey of 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
The InChIKey is RTWBLNOSOIEHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3S/c1-31(29,30)18-9-2-14(3-10-18)15-4-11-19-21(12-15)26-13-20(23(25)28)22(19)27-17-7-5-16(24)6-8-17/h2-13H,1H3,(H2,25,28)(H,26,27).
What are the key properties of 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide?
4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroanilino)-7-(4-methylsulfonylphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 11328012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).