8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one

C11H11ClN2O — CID 121006170

IUPAC8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one
SMILESO=C1NCC2CCc3ccc(Cl)cc3N12
InChIInChI=1S/C11H11ClN2O/c12-8-3-1-7-2-4-9-6-13-11(15)14(9)10(7)5-8/h1,3,5,9H,2,4,6H2,(H,13,15)
InChIKeyMFOANVQXPFSSEM-UHFFFAOYSA-N
MW222.67 g/mol
LogP2.18
Rot. Bonds

About 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one

8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one (PubChem CID 121006170) has the molecular formula C11H11ClN2O and a molecular weight of 222.67 g/mol. Its IUPAC name is 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one.

Molecular Properties

Compound Name8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one
PubChem CID121006170
Molecular FormulaC11H11ClN2O
Molecular Weight222.67 g/mol
Exact Mass222.06
IUPAC Name8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one
SMILESO=C1NCC2CCc3ccc(Cl)cc3N12
InChIInChI=1S/C11H11ClN2O/c12-8-3-1-7-2-4-9-6-13-11(15)14(9)10(7)5-8/h1,3,5,9H,2,4,6H2,(H,13,15)
InChIKeyMFOANVQXPFSSEM-UHFFFAOYSA-N
XLogP2.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.67
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one?
The IUPAC name of 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one (CID 121006170) is 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one.
What is the SMILES notation for 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one?
The canonical SMILES for 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one is O=C1NCC2CCc3ccc(Cl)cc3N12.
What is the InChIKey of 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one?
The InChIKey is MFOANVQXPFSSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c12-8-3-1-7-2-4-9-6-13-11(15)14(9)10(7)5-8/h1,3,5,9H,2,4,6H2,(H,13,15).
What are the key properties of 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one?
8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one has a molecular weight of 222.67 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3,3a,4,5-tetrahydro-2H-imidazo[1,5-a]quinolin-1-one is sourced from PubChem (CID 121006170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).