1,8-dimethylimidazo[4,5-h]isoquinolin-9-one

C12H11N3O — CID 141185724

IUPAC1,8-dimethylimidazo[4,5-h]isoquinolin-9-one
SMILESCn1ccc2ccc3ncn(C)c3c2c1=O
InChIInChI=1S/C12H11N3O/c1-14-6-5-8-3-4-9-11(10(8)12(14)16)15(2)7-13-9/h3-7H,1-2H3
InChIKeyJXOYGTPLSRSOFC-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.43
Rot. Bonds

About 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one

1,8-dimethylimidazo[4,5-h]isoquinolin-9-one (PubChem CID 141185724) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one.

Molecular Properties

Compound Name1,8-dimethylimidazo[4,5-h]isoquinolin-9-one
PubChem CID141185724
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name1,8-dimethylimidazo[4,5-h]isoquinolin-9-one
SMILESCn1ccc2ccc3ncn(C)c3c2c1=O
InChIInChI=1S/C12H11N3O/c1-14-6-5-8-3-4-9-11(10(8)12(14)16)15(2)7-13-9/h3-7H,1-2H3
InChIKeyJXOYGTPLSRSOFC-UHFFFAOYSA-N
XLogP1.43
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7,8-difluoro-2-methylisoquinolin-1-one
CID 176688064
1,6,7-trimethylbenzimidazole
CID 83449271
2,8-dimethylisoquinolin-1-one;ethane
CID 142953957
3-methylbenzimidazole-4-carbaldehyde
CID 82415600
1,5-dimethylimidazo[4,5-c]pyridin-4-one
CID 14148531
3-methylimidazo[4,5-c]pyridine-4-carboxylic acid
CID 84655857
6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 165149924
6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 165150028
4-chloro-3-methylbenzimidazol-5-amine
CID 141167307
2-chloro-7-methyl-1,7-naphthyridin-8-one
CID 134828291
3-methylbenzimidazol-4-ol
CID 3771453
5-chloro-7-(iodomethyl)-3-methylpyrido[4,3-d]pyrimidin-4-one
CID 89391186

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one?
The IUPAC name of 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one (CID 141185724) is 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one.
What is the SMILES notation for 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one?
The canonical SMILES for 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one is Cn1ccc2ccc3ncn(C)c3c2c1=O.
What is the InChIKey of 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one?
The InChIKey is JXOYGTPLSRSOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-14-6-5-8-3-4-9-11(10(8)12(14)16)15(2)7-13-9/h3-7H,1-2H3.
What are the key properties of 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one?
1,8-dimethylimidazo[4,5-h]isoquinolin-9-one has a molecular weight of 213.24 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethylimidazo[4,5-h]isoquinolin-9-one is sourced from PubChem (CID 141185724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).