6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide

C22H22FN3O3S — CID 108802533

IUPAC6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C22H22FN3O3S/c1-15-13-20(19-14-16(23)5-10-21(19)24-15)22(27)25-17-6-8-18(9-7-17)30(28,29)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,27)
InChIKeyXTRSLYSOWOITLV-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.11
Rot. Bonds4

About 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide

6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide (PubChem CID 108802533) has the molecular formula C22H22FN3O3S and a molecular weight of 427.50 g/mol. Its IUPAC name is 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
PubChem CID108802533
Molecular FormulaC22H22FN3O3S
Molecular Weight427.50 g/mol
Exact Mass427.14
IUPAC Name6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2cc(F)ccc2n1
InChIInChI=1S/C22H22FN3O3S/c1-15-13-20(19-14-16(23)5-10-21(19)24-15)22(27)25-17-6-8-18(9-7-17)30(28,29)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,27)
InChIKeyXTRSLYSOWOITLV-UHFFFAOYSA-N
XLogP4.11
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-fluoro-2-methylquinolin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 39850616
2,6-dimethyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide
CID 18277170
5-fluoro-3-methyl-N-(4-piperidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 9344621
4-fluoro-2-iodo-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 38887662
6-fluoro-2-methyl-N-(4-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 108802559
N-[4-(azepan-1-ylsulfonyl)phenyl]-5-fluoro-2-methoxybenzamide
CID 31118008
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-6-fluoro-2-methylquinoline-4-carboxamide
CID 108789607
6-fluoro-2-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-4-carboxamide
CID 108802554
N-(4-fluorophenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 2704882
3,5-difluoro-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 9415065
2,4,5-trimethyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 100709394
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The IUPAC name of 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide (CID 108802533) is 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2cc(F)ccc2n1.
What is the InChIKey of 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
The InChIKey is XTRSLYSOWOITLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3S/c1-15-13-20(19-14-16(23)5-10-21(19)24-15)22(27)25-17-6-8-18(9-7-17)30(28,29)26-11-3-2-4-12-26/h5-10,13-14H,2-4,11-12H2,1H3,(H,25,27).
What are the key properties of 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide?
6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide has a molecular weight of 427.50 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-N-(4-piperidin-1-ylsulfonylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 108802533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).