4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline

C12H11N3O — CID 70483225

IUPAC4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline
SMILESCOc1nc2cccc(C)c2c2nc[nH]c12
InChIInChI=1S/C12H11N3O/c1-7-4-3-5-8-9(7)10-11(14-6-13-10)12(15-8)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyIGASFMWZGYJSTA-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.43
Rot. Bonds1

About 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline

4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline (PubChem CID 70483225) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline
PubChem CID70483225
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline
SMILESCOc1nc2cccc(C)c2c2nc[nH]c12
InChIInChI=1S/C12H11N3O/c1-7-4-3-5-8-9(7)10-11(14-6-13-10)12(15-8)16-2/h3-6H,1-2H3,(H,13,14)
InChIKeyIGASFMWZGYJSTA-UHFFFAOYSA-N
XLogP2.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline?
The IUPAC name of 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline (CID 70483225) is 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline?
The canonical SMILES for 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline is COc1nc2cccc(C)c2c2nc[nH]c12.
What is the InChIKey of 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline?
The InChIKey is IGASFMWZGYJSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-4-3-5-8-9(7)10-11(14-6-13-10)12(15-8)16-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline?
4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline has a molecular weight of 213.24 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-9-methyl-3H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 70483225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).