2-(4-phenylquinolin-2-yl)propane-2-thiol

C18H17NS — CID 156541740

IUPAC2-(4-phenylquinolin-2-yl)propane-2-thiol
SMILESCC(C)(S)c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H17NS/c1-18(2,20)17-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)19-17/h3-12,20H,1-2H3
InChIKeyBQCJZZRHPLXQRY-UHFFFAOYSA-N
MW279.41 g/mol
LogP5.07
Rot. Bonds2

About 2-(4-phenylquinolin-2-yl)propane-2-thiol

2-(4-phenylquinolin-2-yl)propane-2-thiol (PubChem CID 156541740) has the molecular formula C18H17NS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(4-phenylquinolin-2-yl)propane-2-thiol.

Molecular Properties

Compound Name2-(4-phenylquinolin-2-yl)propane-2-thiol
PubChem CID156541740
Molecular FormulaC18H17NS
Molecular Weight279.41 g/mol
Exact Mass279.11
IUPAC Name2-(4-phenylquinolin-2-yl)propane-2-thiol
SMILESCC(C)(S)c1cc(-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C18H17NS/c1-18(2,20)17-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)19-17/h3-12,20H,1-2H3
InChIKeyBQCJZZRHPLXQRY-UHFFFAOYSA-N
XLogP5.07
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.41
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-(4-phenylquinolin-2-yl)propane-2-thiol 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

2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-phenylquinoline
CID 164677987
7-methyl-4-phenyl-2-(trifluoromethyl)quinoline
CID 15213749
4-(4-methoxyphenyl)-2-phenylquinoline
CID 12523263
CID 71229617
CID 71229617
4-phenyl-2-propylquinoline
CID 145370518
4-phenyl-2-[3-(3-triphenylen-2-ylphenyl)phenyl]quinoline
CID 126579083
2-(chloromethyl)-4-phenylquinoline
CID 70386210
2,4-bis(4-fluorophenyl)quinoline
CID 19694816
2-(2,4-dimethylphenyl)-4-phenylquinoline
CID 8966123
2-(2,4-dimethylphenyl)-4-(4-methylphenyl)quinoline
CID 86102330
4-phenyl-2,6-bis(trifluoromethyl)quinoline
CID 135018944
2,4-bis(4-phenylnaphthalen-1-yl)quinoline
CID 146334508

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylquinolin-2-yl)propane-2-thiol?
The IUPAC name of 2-(4-phenylquinolin-2-yl)propane-2-thiol (CID 156541740) is 2-(4-phenylquinolin-2-yl)propane-2-thiol.
What is the SMILES notation for 2-(4-phenylquinolin-2-yl)propane-2-thiol?
The canonical SMILES for 2-(4-phenylquinolin-2-yl)propane-2-thiol is CC(C)(S)c1cc(-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-(4-phenylquinolin-2-yl)propane-2-thiol?
The InChIKey is BQCJZZRHPLXQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NS/c1-18(2,20)17-12-15(13-8-4-3-5-9-13)14-10-6-7-11-16(14)19-17/h3-12,20H,1-2H3.
What are the key properties of 2-(4-phenylquinolin-2-yl)propane-2-thiol?
2-(4-phenylquinolin-2-yl)propane-2-thiol has a molecular weight of 279.41 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylquinolin-2-yl)propane-2-thiol is sourced from PubChem (CID 156541740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).