1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline

C21H20N2S — CID 132820498

IUPAC1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline
SMILESCC(C)Cc1nc(Sc2ccccc2)c2ccc3ccccc3n12
InChIInChI=1S/C21H20N2S/c1-15(2)14-20-22-21(24-17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)23(19)20/h3-13,15H,14H2,1-2H3
InChIKeyTUGSPWRXHBEBRN-UHFFFAOYSA-N
MW332.47 g/mol
LogP5.84
Rot. Bonds4

About 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline

1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline (PubChem CID 132820498) has the molecular formula C21H20N2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline
PubChem CID132820498
Molecular FormulaC21H20N2S
Molecular Weight332.47 g/mol
Exact Mass332.13
IUPAC Name1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline
SMILESCC(C)Cc1nc(Sc2ccccc2)c2ccc3ccccc3n12
InChIInChI=1S/C21H20N2S/c1-15(2)14-20-22-21(24-17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)23(19)20/h3-13,15H,14H2,1-2H3
InChIKeyTUGSPWRXHBEBRN-UHFFFAOYSA-N
XLogP5.84
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline 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

1-(1,3-benzodioxol-5-yl)-3-phenylsulfanylimidazo[1,5-a]quinoline
CID 132820496
N-methyl-1-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]methanamine
CID 28797001
7-fluoro-1-(2-methylpropyl)imidazo[1,5-a]quinoline
CID 138982338
4-ethyl-2-phenylpyrimido[1,6-a]quinoline-1,3-dione
CID 2784876
3-[3-(2-methylpropyl)imidazo[1,5-a]pyridin-1-yl]propan-1-amine
CID 94231471
imidazo[1,5-a]quinolin-1-ylmethanol
CID 71535462
2-[[2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid
CID 39148106
1-butyl-2-(2-methylpropyl)benzimidazole
CID 4004972
1-(2-methylbutyl)-2-(2-methylpropyl)benzimidazole
CID 4626924
N-methyl-1-(2-phenylsulfanylquinolin-3-yl)methanamine
CID 63807134
4-[3-[[1-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]quinolin-7-yl]sulfanyl]phenyl]oxane-4-carbonitrile
CID 52933472
1-[2-(3-methylphenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]propan-2-amine
CID 63818522

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline?
The IUPAC name of 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline (CID 132820498) is 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline.
What is the SMILES notation for 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline?
The canonical SMILES for 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline is CC(C)Cc1nc(Sc2ccccc2)c2ccc3ccccc3n12.
What is the InChIKey of 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline?
The InChIKey is TUGSPWRXHBEBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2S/c1-15(2)14-20-22-21(24-17-9-4-3-5-10-17)19-13-12-16-8-6-7-11-18(16)23(19)20/h3-13,15H,14H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline?
1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline has a molecular weight of 332.47 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-phenylsulfanylimidazo[1,5-a]quinoline is sourced from PubChem (CID 132820498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).