2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide

C23H24FN3O3S — CID 92638686

IUPAC2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1F
InChIInChI=1S/C23H24FN3O3S/c1-15-8-9-17(12-20(15)24)31(29,30)27-11-10-16(14-27)22-13-19(23(28)26(2)3)18-6-4-5-7-21(18)25-22/h4-9,12-13,16H,10-11,14H2,1-3H3/t16-/m1/s1
InChIKeyWCWPJHHUDQSSCK-MRXNPFEDSA-N
MW441.53 g/mol
LogP3.56
Rot. Bonds4

About 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide

2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide (PubChem CID 92638686) has the molecular formula C23H24FN3O3S and a molecular weight of 441.53 g/mol. Its IUPAC name is 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
PubChem CID92638686
Molecular FormulaC23H24FN3O3S
Molecular Weight441.53 g/mol
Exact Mass441.15
IUPAC Name2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1F
InChIInChI=1S/C23H24FN3O3S/c1-15-8-9-17(12-20(15)24)31(29,30)27-11-10-16(14-27)22-13-19(23(28)26(2)3)18-6-4-5-7-21(18)25-22/h4-9,12-13,16H,10-11,14H2,1-3H3/t16-/m1/s1
InChIKeyWCWPJHHUDQSSCK-MRXNPFEDSA-N
XLogP3.56
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethyl-1-benzothiophene-2-carboxamide
CID 110089134
2-[1-[2-(4-fluorophenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 110251578
2-[1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyridine-3-carboxamide
CID 91904282
N,N-dimethyl-2-[(3S)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92636928
N,N-dimethyl-2-[1-(6-methyl-2-phenylpyrimidin-4-yl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251599
2-[(3S)-1-[2-(4-methoxyphenyl)acetyl]pyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide
CID 92636960
(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291700
2-[4-(3,4-dimethylphenyl)sulfonylmorpholin-2-yl]-N-methylquinoline-4-carboxamide
CID 110251822
N,N-dimethyl-2-[1-(2-methyl-1,3-benzothiazole-6-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251428
2-[1-(3-fluoro-4-methylphenyl)sulfonylpiperidin-4-yl]-6-methyl-N-(1-phenylethyl)pyridine-3-carboxamide
CID 42868186
N,N-dimethyl-2-[1-(5-methyl-3-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251426
3-[1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide
CID 110130484

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide?
The IUPAC name of 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide (CID 92638686) is 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide.
What is the SMILES notation for 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide?
The canonical SMILES for 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide is Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)cc1F.
What is the InChIKey of 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide?
The InChIKey is WCWPJHHUDQSSCK-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24FN3O3S/c1-15-8-9-17(12-20(15)24)31(29,30)27-11-10-16(14-27)22-13-19(23(28)26(2)3)18-6-4-5-7-21(18)25-22/h4-9,12-13,16H,10-11,14H2,1-3H3/t16-/m1/s1.
What are the key properties of 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide?
2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide has a molecular weight of 441.53 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-3-yl]-N,N-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 92638686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).