3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol

C10H11N3O — CID 91360819

IUPAC3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol
SMILESOc1cccc2c1C1N=CNC1CN2
InChIInChI=1S/C10H11N3O/c14-8-3-1-2-6-9(8)10-7(4-11-6)12-5-13-10/h1-3,5,7,10-11,14H,4H2,(H,12,13)
InChIKeyLWWCTAXAWRWMIW-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.86
Rot. Bonds

About 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol

3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol (PubChem CID 91360819) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol.

Molecular Properties

Compound Name3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol
PubChem CID91360819
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol
SMILESOc1cccc2c1C1N=CNC1CN2
InChIInChI=1S/C10H11N3O/c14-8-3-1-2-6-9(8)10-7(4-11-6)12-5-13-10/h1-3,5,7,10-11,14H,4H2,(H,12,13)
InChIKeyLWWCTAXAWRWMIW-UHFFFAOYSA-N
XLogP0.86
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol?
The IUPAC name of 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol (CID 91360819) is 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol.
What is the SMILES notation for 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol?
The canonical SMILES for 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol is Oc1cccc2c1C1N=CNC1CN2.
What is the InChIKey of 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol?
The InChIKey is LWWCTAXAWRWMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c14-8-3-1-2-6-9(8)10-7(4-11-6)12-5-13-10/h1-3,5,7,10-11,14H,4H2,(H,12,13).
What are the key properties of 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol?
3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol has a molecular weight of 189.22 g/mol, XLogP of 0.86, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,9b-tetrahydro-3H-imidazo[4,5-c]quinolin-9-ol is sourced from PubChem (CID 91360819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).