1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

C18H23FN4OS — CID 1451289

IUPAC1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCCCc1nnc(SCC(=O)N2c3ccc(F)cc3CC[C@@H]2C)n1C
InChIInChI=1S/C18H23FN4OS/c1-4-5-16-20-21-18(22(16)3)25-11-17(24)23-12(2)6-7-13-10-14(19)8-9-15(13)23/h8-10,12H,4-7,11H2,1-3H3/t12-/m0/s1
InChIKeyOQQZTGFKMNHFOC-LBPRGKRZSA-N
MW362.47 g/mol
LogP3.37
Rot. Bonds5

About 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 1451289) has the molecular formula C18H23FN4OS and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID1451289
Molecular FormulaC18H23FN4OS
Molecular Weight362.47 g/mol
Exact Mass362.16
IUPAC Name1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCCCc1nnc(SCC(=O)N2c3ccc(F)cc3CC[C@@H]2C)n1C
InChIInChI=1S/C18H23FN4OS/c1-4-5-16-20-21-18(22(16)3)25-11-17(24)23-12(2)6-7-13-10-14(19)8-9-15(13)23/h8-10,12H,4-7,11H2,1-3H3/t12-/m0/s1
InChIKeyOQQZTGFKMNHFOC-LBPRGKRZSA-N
XLogP3.37
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 1155024
1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(8-fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanone
CID 6404450
2-[(5,8-dimethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]-1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 6404364
1-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)heptan-1-one
CID 5220666
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanenitrile
CID 4107945
N-ethyl-6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 19654814
2-(4-chlorophenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40591218
2-[[4-(2-methoxyethyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 7398380
2-[[4-(4-fluoro-2-methylphenyl)-5-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 29075093
2-(3,4-dimethoxyphenyl)-1-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 40599402
2-[2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2932548
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3181995

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 1451289) is 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is CCCc1nnc(SCC(=O)N2c3ccc(F)cc3CC[C@@H]2C)n1C.
What is the InChIKey of 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is OQQZTGFKMNHFOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23FN4OS/c1-4-5-16-20-21-18(22(16)3)25-11-17(24)23-12(2)6-7-13-10-14(19)8-9-15(13)23/h8-10,12H,4-7,11H2,1-3H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 362.47 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 1451289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).