6-ethyl-2-isoquinolin-3-ylchromen-4-one

C20H15NO2 — CID 67197083

IUPAC6-ethyl-2-isoquinolin-3-ylchromen-4-one
SMILESCCc1ccc2oc(-c3cc4ccccc4cn3)cc(=O)c2c1
InChIInChI=1S/C20H15NO2/c1-2-13-7-8-19-16(9-13)18(22)11-20(23-19)17-10-14-5-3-4-6-15(14)12-21-17/h3-12H,2H2,1H3
InChIKeyLTLBSHSGISQPHM-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.57
Rot. Bonds2

About 6-ethyl-2-isoquinolin-3-ylchromen-4-one

6-ethyl-2-isoquinolin-3-ylchromen-4-one (PubChem CID 67197083) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 6-ethyl-2-isoquinolin-3-ylchromen-4-one.

Molecular Properties

Compound Name6-ethyl-2-isoquinolin-3-ylchromen-4-one
PubChem CID67197083
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name6-ethyl-2-isoquinolin-3-ylchromen-4-one
SMILESCCc1ccc2oc(-c3cc4ccccc4cn3)cc(=O)c2c1
InChIInChI=1S/C20H15NO2/c1-2-13-7-8-19-16(9-13)18(22)11-20(23-19)17-10-14-5-3-4-6-15(14)12-21-17/h3-12H,2H2,1H3
InChIKeyLTLBSHSGISQPHM-UHFFFAOYSA-N
XLogP4.57
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-isoquinolin-3-ylchromen-4-one?
The IUPAC name of 6-ethyl-2-isoquinolin-3-ylchromen-4-one (CID 67197083) is 6-ethyl-2-isoquinolin-3-ylchromen-4-one.
What is the SMILES notation for 6-ethyl-2-isoquinolin-3-ylchromen-4-one?
The canonical SMILES for 6-ethyl-2-isoquinolin-3-ylchromen-4-one is CCc1ccc2oc(-c3cc4ccccc4cn3)cc(=O)c2c1.
What is the InChIKey of 6-ethyl-2-isoquinolin-3-ylchromen-4-one?
The InChIKey is LTLBSHSGISQPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c1-2-13-7-8-19-16(9-13)18(22)11-20(23-19)17-10-14-5-3-4-6-15(14)12-21-17/h3-12H,2H2,1H3.
What are the key properties of 6-ethyl-2-isoquinolin-3-ylchromen-4-one?
6-ethyl-2-isoquinolin-3-ylchromen-4-one has a molecular weight of 301.35 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-isoquinolin-3-ylchromen-4-one is sourced from PubChem (CID 67197083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).