4-(acridin-9-ylmethyl)chromen-2-one

C23H15NO2 — CID 52944523

IUPAC4-(acridin-9-ylmethyl)chromen-2-one
SMILESO=c1cc(Cc2c3ccccc3nc3ccccc23)c2ccccc2o1
InChIInChI=1S/C23H15NO2/c25-23-14-15(16-7-3-6-12-22(16)26-23)13-19-17-8-1-4-10-20(17)24-21-11-5-2-9-18(19)21/h1-12,14H,13H2
InChIKeyTYRWTRKEFLJTPG-UHFFFAOYSA-N
MW337.38 g/mol
LogP5.09
Rot. Bonds2

About 4-(acridin-9-ylmethyl)chromen-2-one

4-(acridin-9-ylmethyl)chromen-2-one (PubChem CID 52944523) has the molecular formula C23H15NO2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-(acridin-9-ylmethyl)chromen-2-one.

Molecular Properties

Compound Name4-(acridin-9-ylmethyl)chromen-2-one
PubChem CID52944523
Molecular FormulaC23H15NO2
Molecular Weight337.38 g/mol
Exact Mass337.11
IUPAC Name4-(acridin-9-ylmethyl)chromen-2-one
SMILESO=c1cc(Cc2c3ccccc3nc3ccccc23)c2ccccc2o1
InChIInChI=1S/C23H15NO2/c25-23-14-15(16-7-3-6-12-22(16)26-23)13-19-17-8-1-4-10-20(17)24-21-11-5-2-9-18(19)21/h1-12,14H,13H2
InChIKeyTYRWTRKEFLJTPG-UHFFFAOYSA-N
XLogP5.09
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(acridin-9-ylmethyl)chromen-2-one?
The IUPAC name of 4-(acridin-9-ylmethyl)chromen-2-one (CID 52944523) is 4-(acridin-9-ylmethyl)chromen-2-one.
What is the SMILES notation for 4-(acridin-9-ylmethyl)chromen-2-one?
The canonical SMILES for 4-(acridin-9-ylmethyl)chromen-2-one is O=c1cc(Cc2c3ccccc3nc3ccccc23)c2ccccc2o1.
What is the InChIKey of 4-(acridin-9-ylmethyl)chromen-2-one?
The InChIKey is TYRWTRKEFLJTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO2/c25-23-14-15(16-7-3-6-12-22(16)26-23)13-19-17-8-1-4-10-20(17)24-21-11-5-2-9-18(19)21/h1-12,14H,13H2.
What are the key properties of 4-(acridin-9-ylmethyl)chromen-2-one?
4-(acridin-9-ylmethyl)chromen-2-one has a molecular weight of 337.38 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acridin-9-ylmethyl)chromen-2-one is sourced from PubChem (CID 52944523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).