1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline

C21H21N3S — CID 22320531

IUPAC1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline
SMILESc1ccc(SCCCCCn2cnc3cnc4ccccc4c32)cc1
InChIInChI=1S/C21H21N3S/c1-3-9-17(10-4-1)25-14-8-2-7-13-24-16-23-20-15-22-19-12-6-5-11-18(19)21(20)24/h1,3-6,9-12,15-16H,2,7-8,13-14H2
InChIKeyZJUVPIXKQKVNDI-UHFFFAOYSA-N
MW347.49 g/mol
LogP5.55
Rot. Bonds7

About 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline

1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline (PubChem CID 22320531) has the molecular formula C21H21N3S and a molecular weight of 347.49 g/mol. Its IUPAC name is 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline
PubChem CID22320531
Molecular FormulaC21H21N3S
Molecular Weight347.49 g/mol
Exact Mass347.15
IUPAC Name1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline
SMILESc1ccc(SCCCCCn2cnc3cnc4ccccc4c32)cc1
InChIInChI=1S/C21H21N3S/c1-3-9-17(10-4-1)25-14-8-2-7-13-24-16-23-20-15-22-19-12-6-5-11-18(19)21(20)24/h1,3-6,9-12,15-16H,2,7-8,13-14H2
InChIKeyZJUVPIXKQKVNDI-UHFFFAOYSA-N
XLogP5.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

9-imidazo[4,5-c]quinolin-1-ylnonan-1-ol
CID 118583730
1-(5-chloropentyl)imidazo[4,5-c]quinoline;oxirane
CID 87651338
1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 18760176
2-(3-imidazo[4,5-c]quinolin-1-ylpropyl)isoindole-1,3-dione
CID 90160720
2-(5-imidazo[4,5-c]quinolin-1-ylpentyl)benzamide
CID 68822229
4-N-(5-phenylsulfanylpentyl)quinoline-3,4-diamine
CID 86588279
1-[3-(4-chlorophenyl)sulfanylpropyl]benzimidazole
CID 2966362
1-[2-(3-pyridin-2-ylprop-2-ynoxy)ethyl]imidazo[4,5-c]quinoline
CID 141052958
2-methyl-1-(5-methylsulfanylpentyl)imidazo[4,5-c]quinoline
CID 22320512
imidazo[4,5-c]quinolin-1-amine
CID 21075713
imidazo[4,5-c]quinolin-1-amine;hydrochloride
CID 159366776
1-hexadecylimidazo[4,5-c]quinolin-4-amine
CID 11418374

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline?
The IUPAC name of 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline (CID 22320531) is 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline.
What is the SMILES notation for 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline?
The canonical SMILES for 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline is c1ccc(SCCCCCn2cnc3cnc4ccccc4c32)cc1.
What is the InChIKey of 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline?
The InChIKey is ZJUVPIXKQKVNDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3S/c1-3-9-17(10-4-1)25-14-8-2-7-13-24-16-23-20-15-22-19-12-6-5-11-18(19)21(20)24/h1,3-6,9-12,15-16H,2,7-8,13-14H2.
What are the key properties of 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline?
1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline has a molecular weight of 347.49 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylsulfanylpentyl)imidazo[4,5-c]quinoline is sourced from PubChem (CID 22320531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).