N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide

C19H24N2O3S — CID 70707240

IUPACN-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)N(C)C3CCS(=O)(=O)CC3)c2c1
InChIInChI=1S/C19H24N2O3S/c1-4-14-5-6-18-16(12-14)17(11-13(2)20-18)19(22)21(3)15-7-9-25(23,24)10-8-15/h5-6,11-12,15H,4,7-10H2,1-3H3
InChIKeyJYJCKLSMWISNNO-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.75
Rot. Bonds3

About N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide

N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide (PubChem CID 70707240) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide
PubChem CID70707240
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide
SMILESCCc1ccc2nc(C)cc(C(=O)N(C)C3CCS(=O)(=O)CC3)c2c1
InChIInChI=1S/C19H24N2O3S/c1-4-14-5-6-18-16(12-14)17(11-13(2)20-18)19(22)21(3)15-7-9-25(23,24)10-8-15/h5-6,11-12,15H,4,7-10H2,1-3H3
InChIKeyJYJCKLSMWISNNO-UHFFFAOYSA-N
XLogP2.75
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1,1-dioxothiolan-3-yl]-5-ethyl-N-methyl-1-benzofuran-3-carboxamide
CID 100653702
N-ethyl-N,2,6-trimethylquinoline-4-carboxamide
CID 134005674
2,6-dimethyl-N,N-dipropylquinoline-4-carboxamide
CID 55370471
N-[3-(cyclohexylamino)-3-oxopropyl]-6-ethyl-2-methylquinoline-4-carboxamide
CID 70726114
N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-2,6-dimethylquinoline-4-carboxamide
CID 94020756
6-ethyl-N-[2-hydroxy-1-(thian-4-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 70732226
(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 70740250
6-ethyl-2-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]quinoline-4-carboxamide
CID 70768616
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965
[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 42894307
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N,2,6-trimethylquinoline-4-carboxamide
CID 70737422
N-(2,5-dimethylphenyl)-N-ethyl-2,6-dimethylquinoline-4-carboxamide
CID 55591955

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide (CID 70707240) is N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide is CCc1ccc2nc(C)cc(C(=O)N(C)C3CCS(=O)(=O)CC3)c2c1.
What is the InChIKey of N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide?
The InChIKey is JYJCKLSMWISNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-4-14-5-6-18-16(12-14)17(11-13(2)20-18)19(22)21(3)15-7-9-25(23,24)10-8-15/h5-6,11-12,15H,4,7-10H2,1-3H3.
What are the key properties of N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide?
N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-4-yl)-6-ethyl-N,2-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 70707240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).