8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

C21H21NO4 — CID 10689266

IUPAC8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc(CN2CCc3c(c(=O)oc4cc(OC)ccc34)C2)cc1
InChIInChI=1S/C21H21NO4/c1-24-15-5-3-14(4-6-15)12-22-10-9-17-18-8-7-16(25-2)11-20(18)26-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeySTNPHZVHYQRIIW-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.37
Rot. Bonds4

About 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one

8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 10689266) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID10689266
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc(CN2CCc3c(c(=O)oc4cc(OC)ccc34)C2)cc1
InChIInChI=1S/C21H21NO4/c1-24-15-5-3-14(4-6-15)12-22-10-9-17-18-8-7-16(25-2)11-20(18)26-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeySTNPHZVHYQRIIW-UHFFFAOYSA-N
XLogP3.37
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 10689266) is 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is COc1ccc(CN2CCc3c(c(=O)oc4cc(OC)ccc34)C2)cc1.
What is the InChIKey of 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is STNPHZVHYQRIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-24-15-5-3-14(4-6-15)12-22-10-9-17-18-8-7-16(25-2)11-20(18)26-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 351.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 10689266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).