4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide

C22H23N3O3S — CID 46974547

IUPAC4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc12
InChIInChI=1S/C22H23N3O3S/c1-16-14-21(24-20-7-3-2-6-19(16)20)22(26)23-15-17-8-10-18(11-9-17)29(27,28)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,23,26)
InChIKeyWMZRFQYETDXYBM-UHFFFAOYSA-N
MW409.51 g/mol
LogP3.26
Rot. Bonds5

About 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide

4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide (PubChem CID 46974547) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
PubChem CID46974547
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc12
InChIInChI=1S/C22H23N3O3S/c1-16-14-21(24-20-7-3-2-6-19(16)20)22(26)23-15-17-8-10-18(11-9-17)29(27,28)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,23,26)
InChIKeyWMZRFQYETDXYBM-UHFFFAOYSA-N
XLogP3.26
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
N-benzyl-4-methylquinoline-2-carboxamide
CID 164678694
5-methyl-1-phenyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-3-carboxamide
CID 55756785
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-(naphthalen-2-ylmethyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 94042960
5-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 55382516
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indole-3-carboxamide
CID 17457202
4-methylsulfanyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 78889639
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736256
2-(4-hydroxyphenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 78806095
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119944774
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide?
The IUPAC name of 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide (CID 46974547) is 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide is Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nc2ccccc12.
What is the InChIKey of 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide?
The InChIKey is WMZRFQYETDXYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-14-21(24-20-7-3-2-6-19(16)20)22(26)23-15-17-8-10-18(11-9-17)29(27,28)25-12-4-5-13-25/h2-3,6-11,14H,4-5,12-13,15H2,1H3,(H,23,26).
What are the key properties of 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide?
4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 46974547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).