2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C19H22N2OS — CID 24900709

IUPAC2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccnc(SCC(=O)N2CCCc3cccc(C)c32)c1C
InChIInChI=1S/C19H22N2OS/c1-13-9-10-20-19(15(13)3)23-12-17(22)21-11-5-8-16-7-4-6-14(2)18(16)21/h4,6-7,9-10H,5,8,11-12H2,1-3H3
InChIKeyFUXSUQKKSUVLPV-UHFFFAOYSA-N
MW326.47 g/mol
LogP4.08
Rot. Bonds3

About 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 24900709) has the molecular formula C19H22N2OS and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID24900709
Molecular FormulaC19H22N2OS
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Name2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1ccnc(SCC(=O)N2CCCc3cccc(C)c32)c1C
InChIInChI=1S/C19H22N2OS/c1-13-9-10-20-19(15(13)3)23-12-17(22)21-11-5-8-16-7-4-6-14(2)18(16)21/h4,6-7,9-10H,5,8,11-12H2,1-3H3
InChIKeyFUXSUQKKSUVLPV-UHFFFAOYSA-N
XLogP4.08
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 24900709) is 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1ccnc(SCC(=O)N2CCCc3cccc(C)c32)c1C.
What is the InChIKey of 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is FUXSUQKKSUVLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2OS/c1-13-9-10-20-19(15(13)3)23-12-17(22)21-11-5-8-16-7-4-6-14(2)18(16)21/h4,6-7,9-10H,5,8,11-12H2,1-3H3.
What are the key properties of 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 326.47 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 24900709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).