4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one

C14H16N4O2 — CID 69304027

IUPAC4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESNc1nc2cccc(CCCCO)c2c2[nH]c(=O)[nH]c12
InChIInChI=1S/C14H16N4O2/c15-13-12-11(17-14(20)18-12)10-8(4-1-2-7-19)5-3-6-9(10)16-13/h3,5-6,19H,1-2,4,7H2,(H2,15,16)(H2,17,18,20)
InChIKeyIYFXYGGABVXMRT-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.30
Rot. Bonds4

About 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one

4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one (PubChem CID 69304027) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
PubChem CID69304027
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one
SMILESNc1nc2cccc(CCCCO)c2c2[nH]c(=O)[nH]c12
InChIInChI=1S/C14H16N4O2/c15-13-12-11(17-14(20)18-12)10-8(4-1-2-7-19)5-3-6-9(10)16-13/h3,5-6,19H,1-2,4,7H2,(H2,15,16)(H2,17,18,20)
InChIKeyIYFXYGGABVXMRT-UHFFFAOYSA-N
XLogP1.30
TPSA107.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The IUPAC name of 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one (CID 69304027) is 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one.
What is the SMILES notation for 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The canonical SMILES for 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one is Nc1nc2cccc(CCCCO)c2c2[nH]c(=O)[nH]c12.
What is the InChIKey of 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
The InChIKey is IYFXYGGABVXMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-13-12-11(17-14(20)18-12)10-8(4-1-2-7-19)5-3-6-9(10)16-13/h3,5-6,19H,1-2,4,7H2,(H2,15,16)(H2,17,18,20).
What are the key properties of 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one?
4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one has a molecular weight of 272.31 g/mol, XLogP of 1.30, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-9-(4-hydroxybutyl)-1,3-dihydroimidazo[4,5-c]quinolin-2-one is sourced from PubChem (CID 69304027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).