3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione

C15H19NOS — CID 2056968

IUPAC3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione
SMILESCCCCc1c(C)[nH]c2ccc(OC)cc2c1=S
InChIInChI=1S/C15H19NOS/c1-4-5-6-12-10(2)16-14-8-7-11(17-3)9-13(14)15(12)18/h7-9H,4-6H2,1-3H3,(H,16,18)
InChIKeyRHOVOWHUYHNXAA-UHFFFAOYSA-N
MW261.39 g/mol
LogP4.56
Rot. Bonds4

About 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione

3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione (PubChem CID 2056968) has the molecular formula C15H19NOS and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione.

Molecular Properties

Compound Name3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione
PubChem CID2056968
Molecular FormulaC15H19NOS
Molecular Weight261.39 g/mol
Exact Mass261.12
IUPAC Name3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione
SMILESCCCCc1c(C)[nH]c2ccc(OC)cc2c1=S
InChIInChI=1S/C15H19NOS/c1-4-5-6-12-10(2)16-14-8-7-11(17-3)9-13(14)15(12)18/h7-9H,4-6H2,1-3H3,(H,16,18)
InChIKeyRHOVOWHUYHNXAA-UHFFFAOYSA-N
XLogP4.56
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
CID 790258
2-amino-3-butyl-6-methoxy-1H-quinolin-4-one
CID 46708037
5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
CID 156558108
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
CID 65335669
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539
3-[(Z)-3-chlorobut-2-enyl]-6-ethoxy-2-methyl-1H-quinoline-4-thione
CID 760663
6-methoxy-4-methyl-1H-quinoline-2-thione
CID 935963
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
2-(6-methoxy-2-methyl-1H-indol-3-yl)ethanol
CID 50923036
3-amino-6-methoxy-2-methyl-1H-quinolin-4-one
CID 91619118

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione?
The IUPAC name of 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione (CID 2056968) is 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione.
What is the SMILES notation for 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione?
The canonical SMILES for 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione is CCCCc1c(C)[nH]c2ccc(OC)cc2c1=S.
What is the InChIKey of 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione?
The InChIKey is RHOVOWHUYHNXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NOS/c1-4-5-6-12-10(2)16-14-8-7-11(17-3)9-13(14)15(12)18/h7-9H,4-6H2,1-3H3,(H,16,18).
What are the key properties of 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione?
3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione has a molecular weight of 261.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione is sourced from PubChem (CID 2056968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).