3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one

C18H15NO4 — CID 139644069

IUPAC3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one
SMILESCC(CO)Oc1ccc2c(c1)[nH]c(=O)c1c3ccccc3oc21
InChIInChI=1S/C18H15NO4/c1-10(9-20)22-11-6-7-12-14(8-11)19-18(21)16-13-4-2-3-5-15(13)23-17(12)16/h2-8,10,20H,9H2,1H3,(H,19,21)
InChIKeyGZFCRASMZFFJEZ-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.19
Rot. Bonds3

About 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one

3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one (PubChem CID 139644069) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one.

Molecular Properties

Compound Name3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one
PubChem CID139644069
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one
SMILESCC(CO)Oc1ccc2c(c1)[nH]c(=O)c1c3ccccc3oc21
InChIInChI=1S/C18H15NO4/c1-10(9-20)22-11-6-7-12-14(8-11)19-18(21)16-13-4-2-3-5-15(13)23-17(12)16/h2-8,10,20H,9H2,1H3,(H,19,21)
InChIKeyGZFCRASMZFFJEZ-UHFFFAOYSA-N
XLogP3.19
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-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 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one?
The IUPAC name of 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one (CID 139644069) is 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one.
What is the SMILES notation for 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one?
The canonical SMILES for 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one is CC(CO)Oc1ccc2c(c1)[nH]c(=O)c1c3ccccc3oc21.
What is the InChIKey of 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one?
The InChIKey is GZFCRASMZFFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-10(9-20)22-11-6-7-12-14(8-11)19-18(21)16-13-4-2-3-5-15(13)23-17(12)16/h2-8,10,20H,9H2,1H3,(H,19,21).
What are the key properties of 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one?
3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one has a molecular weight of 309.32 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropan-2-yloxy)-5H-[1]benzofuro[3,2-c]quinolin-6-one is sourced from PubChem (CID 139644069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).