2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide

C16H21N3OS — CID 115903191

IUPAC2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
SMILESCCC(CSC)NC(=O)c1cc(NC)nc2ccccc12
InChIInChI=1S/C16H21N3OS/c1-4-11(10-21-3)18-16(20)13-9-15(17-2)19-14-8-6-5-7-12(13)14/h5-9,11H,4,10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBJXWKEPQTSDZER-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.15
Rot. Bonds6

About 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide

2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide (PubChem CID 115903191) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
PubChem CID115903191
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide
SMILESCCC(CSC)NC(=O)c1cc(NC)nc2ccccc12
InChIInChI=1S/C16H21N3OS/c1-4-11(10-21-3)18-16(20)13-9-15(17-2)19-14-8-6-5-7-12(13)14/h5-9,11H,4,10H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBJXWKEPQTSDZER-UHFFFAOYSA-N
XLogP3.15
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-hexan-3-yl-2-(methylamino)quinoline-4-carboxamide
CID 62181643
2-(methylamino)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 62165979
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
2-amino-N-hexan-3-ylquinoline-4-carboxamide
CID 62160815
N-(1-cyclobutylethyl)-2-(methylamino)quinoline-4-carboxamide
CID 115769042
2-(ethylamino)-N-pentan-2-ylquinoline-4-carboxamide
CID 62185765
N-[2-[ethyl(methyl)amino]ethyl]-2-(methylamino)quinoline-4-carboxamide
CID 62640042
N-[4-(ethylcarbamoyl)quinolin-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 84595270
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
2-(methylamino)-N-(2-methylsulfinylethyl)quinoline-4-carboxamide
CID 115650076
N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-2-(2-methylpropyl)quinoline-4-carboxamide
CID 163088809
2-(methylamino)-N-piperidin-1-ylquinoline-4-carboxamide
CID 83016827

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide (CID 115903191) is 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide is CCC(CSC)NC(=O)c1cc(NC)nc2ccccc12.
What is the InChIKey of 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide?
The InChIKey is BJXWKEPQTSDZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-4-11(10-21-3)18-16(20)13-9-15(17-2)19-14-8-6-5-7-12(13)14/h5-9,11H,4,10H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide?
2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(1-methylsulfanylbutan-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 115903191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).