1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline

C19H24N2S — CID 102545834

IUPAC1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCc1cc(N2CCCc3ccccc32)ncc1SC(C)(C)C
InChIInChI=1S/C19H24N2S/c1-14-12-18(20-13-17(14)22-19(2,3)4)21-11-7-9-15-8-5-6-10-16(15)21/h5-6,8,10,12-13H,7,9,11H2,1-4H3
InChIKeyFICQIWYDDAMNAM-UHFFFAOYSA-N
MW312.48 g/mol
LogP5.36
Rot. Bonds2

About 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline

1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline (PubChem CID 102545834) has the molecular formula C19H24N2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
PubChem CID102545834
Molecular FormulaC19H24N2S
Molecular Weight312.48 g/mol
Exact Mass312.17
IUPAC Name1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline
SMILESCc1cc(N2CCCc3ccccc32)ncc1SC(C)(C)C
InChIInChI=1S/C19H24N2S/c1-14-12-18(20-13-17(14)22-19(2,3)4)21-11-7-9-15-8-5-6-10-16(15)21/h5-6,8,10,12-13H,7,9,11H2,1-4H3
InChIKeyFICQIWYDDAMNAM-UHFFFAOYSA-N
XLogP5.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.48
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline with MolForge

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Related Compounds

1-[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]propan-1-ol
CID 102545827
(R)-[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]-phenylmethanamine
CID 124502163
[6-(3,4-dihydro-2H-quinolin-1-yl)-4-methyl-3-pyridinyl]methanol
CID 102545819
methyl 6-(3,4-dihydro-2H-quinolin-1-yl)-4-methylpyridine-3-carboxylate
CID 102545818
1-[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]ethanol
CID 102545847
[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]methanamine
CID 102545843
1-(5-ethenyl-4-methyl-2-pyridinyl)-2,3-dihydroindole
CID 102545853
(NZ)-N-[[6-(2,3-dihydroindol-1-yl)-4-methyl-3-pyridinyl]methylidene]hydroxylamine
CID 124502165
(1R)-1-[6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-3-pyridinyl]propan-1-ol
CID 124501642
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]propan-2-amine
CID 80633070
[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]hydrazine
CID 82055128
1-[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]-N-methylmethanamine
CID 62280507

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline (CID 102545834) is 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline is Cc1cc(N2CCCc3ccccc32)ncc1SC(C)(C)C.
What is the InChIKey of 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline?
The InChIKey is FICQIWYDDAMNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2S/c1-14-12-18(20-13-17(14)22-19(2,3)4)21-11-7-9-15-8-5-6-10-16(15)21/h5-6,8,10,12-13H,7,9,11H2,1-4H3.
What are the key properties of 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline?
1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline has a molecular weight of 312.48 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 102545834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).