2-isoquinolin-3-ylchromen-4-one

C18H11NO2 — CID 67193464

IUPAC2-isoquinolin-3-ylchromen-4-one
SMILESO=c1cc(-c2cc3ccccc3cn2)oc2ccccc12
InChIInChI=1S/C18H11NO2/c20-16-10-18(21-17-8-4-3-7-14(16)17)15-9-12-5-1-2-6-13(12)11-19-15/h1-11H
InChIKeyDJOQUQXTRFFYQR-UHFFFAOYSA-N
MW273.29 g/mol
LogP4.01
Rot. Bonds1

About 2-isoquinolin-3-ylchromen-4-one

2-isoquinolin-3-ylchromen-4-one (PubChem CID 67193464) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-isoquinolin-3-ylchromen-4-one.

Molecular Properties

Compound Name2-isoquinolin-3-ylchromen-4-one
PubChem CID67193464
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name2-isoquinolin-3-ylchromen-4-one
SMILESO=c1cc(-c2cc3ccccc3cn2)oc2ccccc12
InChIInChI=1S/C18H11NO2/c20-16-10-18(21-17-8-4-3-7-14(16)17)15-9-12-5-1-2-6-13(12)11-19-15/h1-11H
InChIKeyDJOQUQXTRFFYQR-UHFFFAOYSA-N
XLogP4.01
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-3-ylchromen-4-one?
The IUPAC name of 2-isoquinolin-3-ylchromen-4-one (CID 67193464) is 2-isoquinolin-3-ylchromen-4-one.
What is the SMILES notation for 2-isoquinolin-3-ylchromen-4-one?
The canonical SMILES for 2-isoquinolin-3-ylchromen-4-one is O=c1cc(-c2cc3ccccc3cn2)oc2ccccc12.
What is the InChIKey of 2-isoquinolin-3-ylchromen-4-one?
The InChIKey is DJOQUQXTRFFYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-16-10-18(21-17-8-4-3-7-14(16)17)15-9-12-5-1-2-6-13(12)11-19-15/h1-11H.
What are the key properties of 2-isoquinolin-3-ylchromen-4-one?
2-isoquinolin-3-ylchromen-4-one has a molecular weight of 273.29 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-3-ylchromen-4-one is sourced from PubChem (CID 67193464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).