1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea

C14H17N3OS — CID 3006109

IUPAC1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea
SMILESCOc1cc(NC(=S)NC(C)C)c2ncccc2c1
InChIInChI=1S/C14H17N3OS/c1-9(2)16-14(19)17-12-8-11(18-3)7-10-5-4-6-15-13(10)12/h4-9H,1-3H3,(H2,16,17,19)
InChIKeyOBRYHRPGSMXPQO-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.94
Rot. Bonds3

About 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea

1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea (PubChem CID 3006109) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea
PubChem CID3006109
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea
SMILESCOc1cc(NC(=S)NC(C)C)c2ncccc2c1
InChIInChI=1S/C14H17N3OS/c1-9(2)16-14(19)17-12-8-11(18-3)7-10-5-4-6-15-13(10)12/h4-9H,1-3H3,(H2,16,17,19)
InChIKeyOBRYHRPGSMXPQO-UHFFFAOYSA-N
XLogP2.94
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea?
The IUPAC name of 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea (CID 3006109) is 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea is COc1cc(NC(=S)NC(C)C)c2ncccc2c1.
What is the InChIKey of 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea?
The InChIKey is OBRYHRPGSMXPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9(2)16-14(19)17-12-8-11(18-3)7-10-5-4-6-15-13(10)12/h4-9H,1-3H3,(H2,16,17,19).
What are the key properties of 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea?
1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea has a molecular weight of 275.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxyquinolin-8-yl)-3-propan-2-ylthiourea is sourced from PubChem (CID 3006109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).