5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one

C23H19NO2 — CID 73354160

IUPAC5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one
SMILESCc1cc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)ccn1
InChIInChI=1S/C23H19NO2/c1-14-11-20-23(16(3)22(14)18-9-10-24-15(2)12-18)19(13-21(25)26-20)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyFVBWEVCVAGCSKX-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.45
Rot. Bonds2

About 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one

5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one (PubChem CID 73354160) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one.

Molecular Properties

Compound Name5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one
PubChem CID73354160
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one
SMILESCc1cc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)ccn1
InChIInChI=1S/C23H19NO2/c1-14-11-20-23(16(3)22(14)18-9-10-24-15(2)12-18)19(13-21(25)26-20)17-7-5-4-6-8-17/h4-13H,1-3H3
InChIKeyFVBWEVCVAGCSKX-UHFFFAOYSA-N
XLogP5.45
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one?
The IUPAC name of 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one (CID 73354160) is 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one.
What is the SMILES notation for 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one?
The canonical SMILES for 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one is Cc1cc(-c2c(C)cc3oc(=O)cc(-c4ccccc4)c3c2C)ccn1.
What is the InChIKey of 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one?
The InChIKey is FVBWEVCVAGCSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-14-11-20-23(16(3)22(14)18-9-10-24-15(2)12-18)19(13-21(25)26-20)17-7-5-4-6-8-17/h4-13H,1-3H3.
What are the key properties of 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one?
5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one has a molecular weight of 341.41 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-6-(2-methyl-4-pyridinyl)-4-phenylchromen-2-one is sourced from PubChem (CID 73354160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).