6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

C18H18N2O3S — CID 24900640

IUPAC6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESCc1cccc2c1N(C(=O)CSc1ccc(C(=O)O)cn1)CCC2
InChIInChI=1S/C18H18N2O3S/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-24-15-8-7-14(10-19-15)18(22)23/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,22,23)
InChIKeyJKMLIKUXPRQQKI-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.16
Rot. Bonds4

About 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid

6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (PubChem CID 24900640) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
PubChem CID24900640
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid
SMILESCc1cccc2c1N(C(=O)CSc1ccc(C(=O)O)cn1)CCC2
InChIInChI=1S/C18H18N2O3S/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-24-15-8-7-14(10-19-15)18(22)23/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,22,23)
InChIKeyJKMLIKUXPRQQKI-UHFFFAOYSA-N
XLogP3.16
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 24900710
2-[[5-(1,1-difluoroethyl)-2-pyridinyl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-pyridin-2-ylsulfanylethanone
CID 123284962
2-[(3-hydroxy-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 143644946
1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 60704653
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;5-chloro-6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid;2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;methyl 5-chloro-6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 159263382
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
2-[(3,4-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[(4,5-dimethyl-2-pyridinyl)sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;2-[[3-ethyl-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 160518597
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78836996
1-[3-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 51289186
2-(1,2-dihydropyridin-2-ylsulfanyl)-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143644944
1-(7-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 23566601
(2S)-2-amino-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-phenylethanone
CID 104897677

Frequently Asked Questions

What is the IUPAC name of 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid (CID 24900640) is 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is Cc1cccc2c1N(C(=O)CSc1ccc(C(=O)O)cn1)CCC2.
What is the InChIKey of 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
The InChIKey is JKMLIKUXPRQQKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-4-2-5-13-6-3-9-20(17(12)13)16(21)11-24-15-8-7-14(10-19-15)18(22)23/h2,4-5,7-8,10H,3,6,9,11H2,1H3,(H,22,23).
What are the key properties of 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid?
6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid has a molecular weight of 342.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid is sourced from PubChem (CID 24900640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).