6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione

C14H18N2OS — CID 141467183

IUPAC6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione
SMILESS=C1CCc2cc(CN3CCOCC3)ccc2N1
InChIInChI=1S/C14H18N2OS/c18-14-4-2-12-9-11(1-3-13(12)15-14)10-16-5-7-17-8-6-16/h1,3,9H,2,4-8,10H2,(H,15,18)
InChIKeyYTSLGQLTTJUPKI-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.20
Rot. Bonds2

About 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione

6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione (PubChem CID 141467183) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione.

Molecular Properties

Compound Name6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione
PubChem CID141467183
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione
SMILESS=C1CCc2cc(CN3CCOCC3)ccc2N1
InChIInChI=1S/C14H18N2OS/c18-14-4-2-12-9-11(1-3-13(12)15-14)10-16-5-7-17-8-6-16/h1,3,9H,2,4-8,10H2,(H,15,18)
InChIKeyYTSLGQLTTJUPKI-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-(pyrrolidin-1-ylmethyl)-6,11-dihydro-5H-benzo[b][1]benzazepine
CID 3048898
4-[[4-(2,3-dihydro-1H-indol-5-yl)phenyl]methyl]morpholine
CID 39233571
6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 28776130
4-(3H-indol-5-ylmethyl)morpholine
CID 66987618
4-[1-(2,3-dihydro-1H-indol-5-ylmethyl)pyrrolidin-3-yl]morpholine
CID 63534593
5-(2-morpholin-4-ylethyl)-1,3-dihydroindol-2-one
CID 10198779
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
6-[[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]methyl]-2,3-dihydroinden-1-one
CID 69201817
4-[[4-(4-fluorophenyl)phenyl]methyl]morpholine
CID 11161574
4-(1,2,3,4-tetrahydroquinolin-6-ylmethyl)thiomorpholine
CID 43142581
7-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 115104347
6-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 131960408

Frequently Asked Questions

What is the IUPAC name of 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione?
The IUPAC name of 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione (CID 141467183) is 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione.
What is the SMILES notation for 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione?
The canonical SMILES for 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione is S=C1CCc2cc(CN3CCOCC3)ccc2N1.
What is the InChIKey of 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione?
The InChIKey is YTSLGQLTTJUPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c18-14-4-2-12-9-11(1-3-13(12)15-14)10-16-5-7-17-8-6-16/h1,3,9H,2,4-8,10H2,(H,15,18).
What are the key properties of 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione?
6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione has a molecular weight of 262.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholin-4-ylmethyl)-3,4-dihydro-1H-quinoline-2-thione is sourced from PubChem (CID 141467183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).