N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide

C15H19N3OS — CID 115987219

IUPACN-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)N(C)CCSC)nc2ccccc12
InChIInChI=1S/C15H19N3OS/c1-16-13-10-14(15(19)18(2)8-9-20-3)17-12-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyOUDVWTJDPFEQIX-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.71
Rot. Bonds5

About N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide

N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide (PubChem CID 115987219) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
PubChem CID115987219
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
SMILESCNc1cc(C(=O)N(C)CCSC)nc2ccccc12
InChIInChI=1S/C15H19N3OS/c1-16-13-10-14(15(19)18(2)8-9-20-3)17-12-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyOUDVWTJDPFEQIX-UHFFFAOYSA-N
XLogP2.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide (CID 115987219) is N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide is CNc1cc(C(=O)N(C)CCSC)nc2ccccc12.
What is the InChIKey of N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide?
The InChIKey is OUDVWTJDPFEQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-16-13-10-14(15(19)18(2)8-9-20-3)17-12-7-5-4-6-11(12)13/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide?
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide is sourced from PubChem (CID 115987219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).