7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one

C12H11N3O — CID 5487281

IUPAC7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1C
InChIInChI=1S/C12H11N3O/c1-6-3-4-9-8(7(6)2)5-10-11(13-9)15-12(16)14-10/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyODCKPUDNMNCWMR-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.02
Rot. Bonds

About 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one

7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one (PubChem CID 5487281) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
PubChem CID5487281
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one
SMILESCc1ccc2nc3[nH]c(=O)[nH]c3cc2c1C
InChIInChI=1S/C12H11N3O/c1-6-3-4-9-8(7(6)2)5-10-11(13-9)15-12(16)14-10/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyODCKPUDNMNCWMR-UHFFFAOYSA-N
XLogP2.02
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one (CID 5487281) is 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one is Cc1ccc2nc3[nH]c(=O)[nH]c3cc2c1C.
What is the InChIKey of 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is ODCKPUDNMNCWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-6-3-4-9-8(7(6)2)5-10-11(13-9)15-12(16)14-10/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one?
7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 213.24 g/mol, XLogP of 2.02, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-1,3-dihydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 5487281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).