1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione

C15H15N3S — CID 103964189

IUPAC1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESS=c1[nH]c2cnc3ccccc3c2n1CC1CCC1
InChIInChI=1S/C15H15N3S/c19-15-17-13-8-16-12-7-2-1-6-11(12)14(13)18(15)9-10-4-3-5-10/h1-2,6-8,10H,3-5,9H2,(H,17,19)
InChIKeyMZCXYNCHEVRSNP-UHFFFAOYSA-N
MW269.37 g/mol
LogP4.05
Rot. Bonds2

About 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione

1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione (PubChem CID 103964189) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione
PubChem CID103964189
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESS=c1[nH]c2cnc3ccccc3c2n1CC1CCC1
InChIInChI=1S/C15H15N3S/c19-15-17-13-8-16-12-7-2-1-6-11(12)14(13)18(15)9-10-4-3-5-10/h1-2,6-8,10H,3-5,9H2,(H,17,19)
InChIKeyMZCXYNCHEVRSNP-UHFFFAOYSA-N
XLogP4.05
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964296
1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 104763014
1-(1-methylpyrrolidin-3-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964222
1-(2,3-dimethylcyclopentyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964312
1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964244
1-[1-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964339
1-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964184
6-bromo-3-(cyclopentylmethyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79306904
9-(cyclobutylmethyl)carbazole
CID 130274210
3-[(1-methylpiperidin-3-yl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 17171444
1-pyrrolidin-1-yl-3H-imidazo[4,5-c]quinolin-2-one
CID 140558441
3-(cyclobutylmethyl)-6-(trifluoromethyl)-1H-benzimidazole-2-thione
CID 115501826

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The IUPAC name of 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione (CID 103964189) is 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione.
What is the SMILES notation for 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The canonical SMILES for 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione is S=c1[nH]c2cnc3ccccc3c2n1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione?
The InChIKey is MZCXYNCHEVRSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c19-15-17-13-8-16-12-7-2-1-6-11(12)14(13)18(15)9-10-4-3-5-10/h1-2,6-8,10H,3-5,9H2,(H,17,19).
What are the key properties of 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione?
1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione has a molecular weight of 269.37 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione is sourced from PubChem (CID 103964189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).