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

C14H17NOS — CID 790258

IUPAC6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
SMILESCCCc1c(C)[nH]c2ccc(OC)cc2c1=S
InChIInChI=1S/C14H17NOS/c1-4-5-11-9(2)15-13-7-6-10(16-3)8-12(13)14(11)17/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyKHFYRPKGIGHJGL-UHFFFAOYSA-N
MW247.36 g/mol
LogP4.17
Rot. Bonds3

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

6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione (PubChem CID 790258) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione.

Molecular Properties

Compound Name6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
PubChem CID790258
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
SMILESCCCc1c(C)[nH]c2ccc(OC)cc2c1=S
InChIInChI=1S/C14H17NOS/c1-4-5-11-9(2)15-13-7-6-10(16-3)8-12(13)14(11)17/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyKHFYRPKGIGHJGL-UHFFFAOYSA-N
XLogP4.17
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione
CID 2056968
5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
CID 156558108
6-methoxy-4-methyl-1H-quinoline-2-thione
CID 935963
6-methoxy-1,2,3,4-tetrapropylnaphthalene
CID 101211335
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
CID 65335669
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
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
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione?
The IUPAC name of 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione (CID 790258) is 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione.
What is the SMILES notation for 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione?
The canonical SMILES for 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione is CCCc1c(C)[nH]c2ccc(OC)cc2c1=S.
What is the InChIKey of 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione?
The InChIKey is KHFYRPKGIGHJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-4-5-11-9(2)15-13-7-6-10(16-3)8-12(13)14(11)17/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione?
6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione has a molecular weight of 247.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione is sourced from PubChem (CID 790258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).