7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one

C22H21NO3 — CID 2461259

IUPAC7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one
SMILESCOc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C22H21NO3/c1-25-19-7-8-20-18(13-22(24)26-21(20)14-19)15-23-11-9-17(10-12-23)16-5-3-2-4-6-16/h2-9,13-14H,10-12,15H2,1H3
InChIKeyOSDUWIFNRWRJRD-UHFFFAOYSA-N
MW347.41 g/mol
LogP4.09
Rot. Bonds4

About 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one

7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one (PubChem CID 2461259) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one
PubChem CID2461259
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one
SMILESCOc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C22H21NO3/c1-25-19-7-8-20-18(13-22(24)26-21(20)14-19)15-23-11-9-17(10-12-23)16-5-3-2-4-6-16/h2-9,13-14H,10-12,15H2,1H3
InChIKeyOSDUWIFNRWRJRD-UHFFFAOYSA-N
XLogP4.09
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.09
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 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one (CID 2461259) is 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one is COc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
The InChIKey is OSDUWIFNRWRJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-19-7-8-20-18(13-22(24)26-21(20)14-19)15-23-11-9-17(10-12-23)16-5-3-2-4-6-16/h2-9,13-14H,10-12,15H2,1H3.
What are the key properties of 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one has a molecular weight of 347.41 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 2461259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).