2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

C17H16Cl2N2OS — CID 24900705

IUPAC2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)CSc1ncc(Cl)cc1Cl)CCC2
InChIInChI=1S/C17H16Cl2N2OS/c1-11-4-2-5-12-6-3-7-21(16(11)12)15(22)10-23-17-14(19)8-13(18)9-20-17/h2,4-5,8-9H,3,6-7,10H2,1H3
InChIKeyFLTBYMGWJOPCBI-UHFFFAOYSA-N
MW367.30 g/mol
LogP4.77
Rot. Bonds3

About 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone

2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 24900705) has the molecular formula C17H16Cl2N2OS and a molecular weight of 367.30 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID24900705
Molecular FormulaC17H16Cl2N2OS
Molecular Weight367.30 g/mol
Exact Mass366.04
IUPAC Name2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESCc1cccc2c1N(C(=O)CSc1ncc(Cl)cc1Cl)CCC2
InChIInChI=1S/C17H16Cl2N2OS/c1-11-4-2-5-12-6-3-7-21(16(11)12)15(22)10-23-17-14(19)8-13(18)9-20-17/h2,4-5,8-9H,3,6-7,10H2,1H3
InChIKeyFLTBYMGWJOPCBI-UHFFFAOYSA-N
XLogP4.77
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 24900705) is 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is Cc1cccc2c1N(C(=O)CSc1ncc(Cl)cc1Cl)CCC2.
What is the InChIKey of 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is FLTBYMGWJOPCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2OS/c1-11-4-2-5-12-6-3-7-21(16(11)12)15(22)10-23-17-14(19)8-13(18)9-20-17/h2,4-5,8-9H,3,6-7,10H2,1H3.
What are the key properties of 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 367.30 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichloro-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 24900705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).