pyrano[2,3-h]quinolin-2-one

C12H7NO2 — CID 87068579

IUPACpyrano[2,3-h]quinolin-2-one
SMILESO=c1ccc2ccc3occcc3c2n1
InChIInChI=1S/C12H7NO2/c14-11-6-4-8-3-5-10-9(12(8)13-11)2-1-7-15-10/h1-7H
InChIKeyLYYKXLNKDJVDPU-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.34
Rot. Bonds

About pyrano[2,3-h]quinolin-2-one

pyrano[2,3-h]quinolin-2-one (PubChem CID 87068579) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is pyrano[2,3-h]quinolin-2-one.

Molecular Properties

Compound Namepyrano[2,3-h]quinolin-2-one
PubChem CID87068579
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Namepyrano[2,3-h]quinolin-2-one
SMILESO=c1ccc2ccc3occcc3c2n1
InChIInChI=1S/C12H7NO2/c14-11-6-4-8-3-5-10-9(12(8)13-11)2-1-7-15-10/h1-7H
InChIKeyLYYKXLNKDJVDPU-UHFFFAOYSA-N
XLogP2.34
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pyrano[2,3-h]quinolin-2-one?
The IUPAC name of pyrano[2,3-h]quinolin-2-one (CID 87068579) is pyrano[2,3-h]quinolin-2-one.
What is the SMILES notation for pyrano[2,3-h]quinolin-2-one?
The canonical SMILES for pyrano[2,3-h]quinolin-2-one is O=c1ccc2ccc3occcc3c2n1.
What is the InChIKey of pyrano[2,3-h]quinolin-2-one?
The InChIKey is LYYKXLNKDJVDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c14-11-6-4-8-3-5-10-9(12(8)13-11)2-1-7-15-10/h1-7H.
What are the key properties of pyrano[2,3-h]quinolin-2-one?
pyrano[2,3-h]quinolin-2-one has a molecular weight of 197.19 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[2,3-h]quinolin-2-one is sourced from PubChem (CID 87068579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).