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

C21H21NO3 — CID 10640530

IUPAC8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C)cc1)CC3
InChIInChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyGCSJTLWMFLOWBK-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.67
Rot. Bonds3

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

8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (PubChem CID 10640530) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.

Molecular Properties

Compound Name8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
PubChem CID10640530
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
SMILESCOc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C)cc1)CC3
InChIInChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3
InChIKeyGCSJTLWMFLOWBK-UHFFFAOYSA-N
XLogP3.67
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The IUPAC name of 8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one (CID 10640530) is 8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one.
What is the SMILES notation for 8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The canonical SMILES for 8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is COc1ccc2c3c(c(=O)oc2c1)CN(Cc1ccc(C)cc1)CC3.
What is the InChIKey of 8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
The InChIKey is GCSJTLWMFLOWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-14-3-5-15(6-4-14)12-22-10-9-17-18-8-7-16(24-2)11-20(18)25-21(23)19(17)13-22/h3-8,11H,9-10,12-13H2,1-2H3.
What are the key properties of 8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one?
8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one has a molecular weight of 335.40 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[(4-methylphenyl)methyl]-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one is sourced from PubChem (CID 10640530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).