1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one

C12H11N3O — CID 10059064

IUPAC1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one
SMILESCc1nc2c(=O)[nH]c3ccccc3c2n1C
InChIInChI=1S/C12H11N3O/c1-7-13-10-11(15(7)2)8-5-3-4-6-9(8)14-12(10)16/h3-6H,1-2H3,(H,14,16)
InChIKeyFHVJWRBVDFUNHO-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.72
Rot. Bonds

About 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one

1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one (PubChem CID 10059064) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one
PubChem CID10059064
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one
SMILESCc1nc2c(=O)[nH]c3ccccc3c2n1C
InChIInChI=1S/C12H11N3O/c1-7-13-10-11(15(7)2)8-5-3-4-6-9(8)14-12(10)16/h3-6H,1-2H3,(H,14,16)
InChIKeyFHVJWRBVDFUNHO-UHFFFAOYSA-N
XLogP1.72
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one?
The IUPAC name of 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one (CID 10059064) is 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one.
What is the SMILES notation for 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one?
The canonical SMILES for 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one is Cc1nc2c(=O)[nH]c3ccccc3c2n1C.
What is the InChIKey of 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one?
The InChIKey is FHVJWRBVDFUNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-13-10-11(15(7)2)8-5-3-4-6-9(8)14-12(10)16/h3-6H,1-2H3,(H,14,16).
What are the key properties of 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one?
1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one has a molecular weight of 213.24 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5H-imidazo[4,5-c]quinolin-4-one is sourced from PubChem (CID 10059064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).