2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide

C19H25N3OS — CID 133275936

IUPAC2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
SMILESCC(C)(C)SCCNc1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C19H25N3OS/c1-19(2,3)24-11-10-20-17-12-15(18(23)21-13-8-9-13)14-6-4-5-7-16(14)22-17/h4-7,12-13H,8-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZPKYLARPBZFSKU-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.07
Rot. Bonds6

About 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide

2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide (PubChem CID 133275936) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
PubChem CID133275936
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide
SMILESCC(C)(C)SCCNc1cc(C(=O)NC2CC2)c2ccccc2n1
InChIInChI=1S/C19H25N3OS/c1-19(2,3)24-11-10-20-17-12-15(18(23)21-13-8-9-13)14-6-4-5-7-16(14)22-17/h4-7,12-13H,8-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyZPKYLARPBZFSKU-UHFFFAOYSA-N
XLogP4.07
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[2-(6-methyl-3-pyridinyl)ethylamino]quinoline-4-carboxamide
CID 133361337
N-cyclopropyl-2-[3-(2-hydroxycyclohexyl)propylamino]quinoline-4-carboxamide
CID 133385061
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
N-cyclopropyl-2-[(1-methylpiperidin-3-yl)methylamino]quinoline-4-carboxamide
CID 133454577
N-cyclopropyl-2-[(2-morpholin-4-yl-2-phenylethyl)amino]quinoline-4-carboxamide
CID 139000419
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]-N-cyclopropylquinoline-4-carboxamide
CID 112802306
2-(4-cyano-4-methylpentyl)sulfanyl-N-cyclopropylquinoline-4-carboxamide
CID 71864722
N-cyclopropyl-2-[[3-methyl-1-(methylamino)-1-oxobutan-2-yl]amino]quinoline-4-carboxamide
CID 133388065
N-(2-cyclopropylpropan-2-yl)-2-(methylamino)quinoline-4-carboxamide
CID 103718280
N-cyclohexyl-2-(3,5-dimethylanilino)quinoline-4-carboxamide
CID 15990902
N-cyclopropyl-2-[[3-(pyridine-4-carbonylamino)phenyl]methylamino]quinoline-4-carboxamide
CID 60527078
2-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylamino]-N-cyclopropylquinoline-4-carboxamide
CID 133477494

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide?
The IUPAC name of 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide (CID 133275936) is 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide is CC(C)(C)SCCNc1cc(C(=O)NC2CC2)c2ccccc2n1.
What is the InChIKey of 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide?
The InChIKey is ZPKYLARPBZFSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-19(2,3)24-11-10-20-17-12-15(18(23)21-13-8-9-13)14-6-4-5-7-16(14)22-17/h4-7,12-13H,8-11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide?
2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide has a molecular weight of 343.50 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylsulfanylethylamino)-N-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 133275936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).