3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline

C10H11N3 — CID 66614275

IUPAC3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline
SMILESC1=CC2C(=CC1)NC=C1NCN=C12
InChIInChI=1S/C10H11N3/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10/h1,3-5,7,11-12H,2,6H2
InChIKeyDJIJSOKQVADRKS-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.89
Rot. Bonds

About 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline

3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline (PubChem CID 66614275) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline.

Molecular Properties

Compound Name3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline
PubChem CID66614275
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline
SMILESC1=CC2C(=CC1)NC=C1NCN=C12
InChIInChI=1S/C10H11N3/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10/h1,3-5,7,11-12H,2,6H2
InChIKeyDJIJSOKQVADRKS-UHFFFAOYSA-N
XLogP0.89
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline?
The IUPAC name of 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline (CID 66614275) is 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline.
What is the SMILES notation for 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline?
The canonical SMILES for 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline is C1=CC2C(=CC1)NC=C1NCN=C12.
What is the InChIKey of 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline?
The InChIKey is DJIJSOKQVADRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-8-7(3-1)10-9(5-11-8)12-6-13-10/h1,3-5,7,11-12H,2,6H2.
What are the key properties of 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline?
3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline has a molecular weight of 173.22 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7,9a-tetrahydro-2H-imidazo[4,5-c]quinoline is sourced from PubChem (CID 66614275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).