1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one

C10H9N3O — CID 135626416

IUPAC1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one
SMILESO=C1NC2=Nc3ccccc3CC2N1
InChIInChI=1S/C10H9N3O/c14-10-12-8-5-6-3-1-2-4-7(6)11-9(8)13-10/h1-4,8H,5H2,(H2,11,12,13,14)
InChIKeyKVVGGYBLPPGNMA-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.95
Rot. Bonds

About 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one

1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one (PubChem CID 135626416) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one.

Molecular Properties

Compound Name1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one
PubChem CID135626416
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one
SMILESO=C1NC2=Nc3ccccc3CC2N1
InChIInChI=1S/C10H9N3O/c14-10-12-8-5-6-3-1-2-4-7(6)11-9(8)13-10/h1-4,8H,5H2,(H2,11,12,13,14)
InChIKeyKVVGGYBLPPGNMA-UHFFFAOYSA-N
XLogP0.95
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one?
The IUPAC name of 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one (CID 135626416) is 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one.
What is the SMILES notation for 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one?
The canonical SMILES for 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one is O=C1NC2=Nc3ccccc3CC2N1.
What is the InChIKey of 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one?
The InChIKey is KVVGGYBLPPGNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10-12-8-5-6-3-1-2-4-7(6)11-9(8)13-10/h1-4,8H,5H2,(H2,11,12,13,14).
What are the key properties of 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one?
1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one has a molecular weight of 187.20 g/mol, XLogP of 0.95, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,9,9a-tetrahydroimidazo[4,5-b]quinolin-2-one is sourced from PubChem (CID 135626416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).