N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide

C19H24N4O3S — CID 133274243

IUPACN-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide
SMILESCS(=O)(=O)N1CCCC(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)C1
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)23-10-4-5-14(12-23)20-18-11-16(19(24)21-13-8-9-13)15-6-2-3-7-17(15)22-18/h2-3,6-7,11,13-14H,4-5,8-10,12H2,1H3,(H,20,22)(H,21,24)
InChIKeyBOUVBCZSXQOXSI-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.96
Rot. Bonds5

About N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide

N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide (PubChem CID 133274243) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide
PubChem CID133274243
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide
SMILESCS(=O)(=O)N1CCCC(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)C1
InChIInChI=1S/C19H24N4O3S/c1-27(25,26)23-10-4-5-14(12-23)20-18-11-16(19(24)21-13-8-9-13)15-6-2-3-7-17(15)22-18/h2-3,6-7,11,13-14H,4-5,8-10,12H2,1H3,(H,20,22)(H,21,24)
InChIKeyBOUVBCZSXQOXSI-UHFFFAOYSA-N
XLogP1.96
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
N-(1-methylsulfonylpiperidin-3-yl)-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxamide
CID 47908934
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 47406249
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
CID 47982906
2,3-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)benzamide
CID 47910133
4-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]benzoic acid
CID 119182615
N-(1-methylsulfonylpiperidin-3-yl)-1-phenyl-1,2,4-triazole-3-carboxamide
CID 146124574
2-[2-[(1-methylsulfonylpiperidin-3-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119182608
N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
CID 112812673
2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
CID 133275936

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide (CID 133274243) is N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide is CS(=O)(=O)N1CCCC(Nc2cc(C(=O)NC3CC3)c3ccccc3n2)C1.
What is the InChIKey of N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide?
The InChIKey is BOUVBCZSXQOXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-27(25,26)23-10-4-5-14(12-23)20-18-11-16(19(24)21-13-8-9-13)15-6-2-3-7-17(15)22-18/h2-3,6-7,11,13-14H,4-5,8-10,12H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide?
N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide is sourced from PubChem (CID 133274243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).