2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline

C12H11N3S — CID 134122186

IUPAC2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline
SMILESCSc1nc2ccccc2c2nc(C)[nH]c12
InChIInChI=1S/C12H11N3S/c1-7-13-10-8-5-3-4-6-9(8)15-12(16-2)11(10)14-7/h3-6H,1-2H3,(H,13,14)
InChIKeyLDBODGQKGKGKGP-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.14
Rot. Bonds1

About 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline

2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline (PubChem CID 134122186) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline
PubChem CID134122186
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline
SMILESCSc1nc2ccccc2c2nc(C)[nH]c12
InChIInChI=1S/C12H11N3S/c1-7-13-10-8-5-3-4-6-9(8)15-12(16-2)11(10)14-7/h3-6H,1-2H3,(H,13,14)
InChIKeyLDBODGQKGKGKGP-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3H-imidazo[4,5-c]quinolin-4-amine
CID 18915259
2-methyl-N-phenyl-3H-imidazo[4,5-c]quinolin-4-amine
CID 134106073
2-ethyl-4-methylsulfanylquinazoline
CID 11615390
(4-methyl-2-methylsulfanylquinolin-3-yl)-(4-methylphenyl)methanone
CID 139256386
2-(dicyclopropylmethyl)-4-methyl-3H-imidazo[4,5-c]quinoline
CID 170152461
4-chloro-3H-imidazo[4,5-c]quinolin-2-amine
CID 87165995
2-methyl-1H-benzimidazole
CID 11984
2-methylsulfanyl-3H-pyrimido[5,4-c]cinnolin-4-one
CID 135524437
2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
CID 174200783
2-methoxy-3-methylsulfanylquinoxaline
CID 119082248
2,3-bis(methylsulfanyl)benzo[g]quinoxaline;ethane
CID 91560240
methyl 4-chloro-2-methylsulfanylquinoline-3-carboxylate
CID 162691899

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline (CID 134122186) is 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline is CSc1nc2ccccc2c2nc(C)[nH]c12.
What is the InChIKey of 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline?
The InChIKey is LDBODGQKGKGKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-7-13-10-8-5-3-4-6-9(8)15-12(16-2)11(10)14-7/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline?
2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline has a molecular weight of 229.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-methylsulfanyl-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 134122186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).