1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

C21H24N4O3S2 — CID 26964087

IUPAC1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)n1
InChIInChI=1S/C21H24N4O3S2/c1-14-10-15(2)23-21(18(14)12-22)29-13-20(26)25-9-5-6-16-11-17(7-8-19(16)25)30(27,28)24(3)4/h7-8,10-11H,5-6,9,13H2,1-4H3
InChIKeyPYNCOQDJRCRDMX-UHFFFAOYSA-N
MW444.58 g/mol
LogP2.89
Rot. Bonds5

About 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide

1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (PubChem CID 26964087) has the molecular formula C21H24N4O3S2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.

Molecular Properties

Compound Name1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
PubChem CID26964087
Molecular FormulaC21H24N4O3S2
Molecular Weight444.58 g/mol
Exact Mass444.13
IUPAC Name1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
SMILESCc1cc(C)c(C#N)c(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)n1
InChIInChI=1S/C21H24N4O3S2/c1-14-10-15(2)23-21(18(14)12-22)29-13-20(26)25-9-5-6-16-11-17(7-8-19(16)25)30(27,28)24(3)4/h7-8,10-11H,5-6,9,13H2,1-4H3
InChIKeyPYNCOQDJRCRDMX-UHFFFAOYSA-N
XLogP2.89
TPSA94.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide with MolForge

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Related Compounds

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 2672568
N,N-dimethyl-1-[2-(1-propan-2-yltetrazol-5-yl)sulfanylacetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24528086
1-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 31000690
N,N-dimethyl-1-(2-phenoxyacetyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17442791
1-[2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 26968009
N,N-dimethyl-1-[2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24527409
1-(cyclopentanecarbonyl)-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 17446578
1-[2-[3-(diethylamino)pyrrolidin-1-yl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 166216813
1-[2-[6-(dimethylsulfamoyl)-3,4-dihydro-2H-quinolin-1-yl]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 24561320
2-[2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 78831266
4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carbonitrile
CID 703070
1-[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 24682263

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The IUPAC name of 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide (CID 26964087) is 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide.
What is the SMILES notation for 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The canonical SMILES for 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is Cc1cc(C)c(C#N)c(SCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)n1.
What is the InChIKey of 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
The InChIKey is PYNCOQDJRCRDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S2/c1-14-10-15(2)23-21(18(14)12-22)29-13-20(26)25-9-5-6-16-11-17(7-8-19(16)25)30(27,28)24(3)4/h7-8,10-11H,5-6,9,13H2,1-4H3.
What are the key properties of 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide?
1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide has a molecular weight of 444.58 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]acetyl]-N,N-dimethyl-3,4-dihydro-2H-quinoline-6-sulfonamide is sourced from PubChem (CID 26964087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).