2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide

C22H22N4O3S — CID 55882150

IUPAC2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3C)c2)c2ccccc2n1
InChIInChI=1S/C22H22N4O3S/c1-15-13-19(18-9-3-4-10-20(18)23-15)22(27)24-16-7-5-8-17(14-16)30(28,29)25-21-11-6-12-26(21)2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,24,27)
InChIKeyHGAZIHOGGWBLQV-UHFFFAOYSA-N
MW422.51 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide

2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide (PubChem CID 55882150) has the molecular formula C22H22N4O3S and a molecular weight of 422.51 g/mol. Its IUPAC name is 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
PubChem CID55882150
Molecular FormulaC22H22N4O3S
Molecular Weight422.51 g/mol
Exact Mass422.14
IUPAC Name2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3C)c2)c2ccccc2n1
InChIInChI=1S/C22H22N4O3S/c1-15-13-19(18-9-3-4-10-20(18)23-15)22(27)24-16-7-5-8-17(14-16)30(28,29)25-21-11-6-12-26(21)2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,24,27)
InChIKeyHGAZIHOGGWBLQV-UHFFFAOYSA-N
XLogP3.61
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(1-methylazepan-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide
CID 76867418
2-(N-methylanilino)-N-[3-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]benzamide
CID 60530575
2-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1H-indole-3-carboxamide
CID 60557496
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
4-methyl-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-1,3-thiazole-5-carboxamide
CID 60530494
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-methylsulfonylbenzamide
CID 51957722
2-chloro-N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]pyridine-3-carboxamide
CID 60549421
N-[3-[(E)-(1-methylazepan-2-ylidene)amino]sulfonylphenyl]acetamide
CID 166180766
3-(3,5-dimethylpyrazol-1-yl)-N-[3-[(E)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]propanamide
CID 55881257
N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-4-propan-2-ylbenzamide
CID 55881637
2-fluoro-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55880493
N-[2-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylanilino]-2-oxo-1-phenylethyl]benzamide
CID 55768322

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide (CID 55882150) is 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide is Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N=C3CCCN3C)c2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide?
The InChIKey is HGAZIHOGGWBLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3S/c1-15-13-19(18-9-3-4-10-20(18)23-15)22(27)24-16-7-5-8-17(14-16)30(28,29)25-21-11-6-12-26(21)2/h3-5,7-10,13-14H,6,11-12H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide?
2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide has a molecular weight of 422.51 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]quinoline-4-carboxamide is sourced from PubChem (CID 55882150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).