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

C16H17N3S — CID 103964296

IUPAC1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCC(CC1CC1)n1c(=S)[nH]c2cnc3ccccc3c21
InChIInChI=1S/C16H17N3S/c1-10(8-11-6-7-11)19-15-12-4-2-3-5-13(12)17-9-14(15)18-16(19)20/h2-5,9-11H,6-8H2,1H3,(H,18,20)
InChIKeyPQTPXEYGCULPIQ-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.61
Rot. Bonds3

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

1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione (PubChem CID 103964296) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione.

Molecular Properties

Compound Name1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
PubChem CID103964296
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
SMILESCC(CC1CC1)n1c(=S)[nH]c2cnc3ccccc3c21
InChIInChI=1S/C16H17N3S/c1-10(8-11-6-7-11)19-15-12-4-2-3-5-13(12)17-9-14(15)18-16(19)20/h2-5,9-11H,6-8H2,1H3,(H,18,20)
InChIKeyPQTPXEYGCULPIQ-UHFFFAOYSA-N
XLogP4.61
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.61
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-(dimethylamino)propan-2-yl]-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964339
1-(1-ethoxypropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964244
1-(cyclobutylmethyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964189
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-(4-methylphenyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 103964184
1-(2-methoxy-2-methylpropyl)-3H-imidazo[4,5-c]quinoline-2-thione
CID 104763014
1-pyrrolidin-1-yl-3H-imidazo[4,5-c]quinolin-2-one
CID 140558441
3-(4-methylpentan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one
CID 43372394
3-(2-cyclopropylpropyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 113226950
4-N-(cyclopropylmethyl)-4-N-propan-2-ylquinoline-3,4-diamine
CID 103963106
4-chloro-3-(1-cyclopropylethyl)-1H-benzimidazole-2-thione
CID 43661044

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
The IUPAC name of 1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione (CID 103964296) is 1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione.
What is the SMILES notation for 1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
The canonical SMILES for 1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione is CC(CC1CC1)n1c(=S)[nH]c2cnc3ccccc3c21.
What is the InChIKey of 1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
The InChIKey is PQTPXEYGCULPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-10(8-11-6-7-11)19-15-12-4-2-3-5-13(12)17-9-14(15)18-16(19)20/h2-5,9-11H,6-8H2,1H3,(H,18,20).
What are the key properties of 1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione?
1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione has a molecular weight of 283.40 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpropan-2-yl)-3H-imidazo[4,5-c]quinoline-2-thione is sourced from PubChem (CID 103964296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).