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

C23H23NO2 — CID 2461072

IUPAC7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one
SMILESCCc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C23H23NO2/c1-2-17-8-9-21-20(15-23(25)26-22(21)14-17)16-24-12-10-19(11-13-24)18-6-4-3-5-7-18/h3-10,14-15H,2,11-13,16H2,1H3
InChIKeyPRCKGPKGLNUWJI-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.64
Rot. Bonds4

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

7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one (PubChem CID 2461072) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one
PubChem CID2461072
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one
SMILESCCc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C23H23NO2/c1-2-17-8-9-21-20(15-23(25)26-22(21)14-17)16-24-12-10-19(11-13-24)18-6-4-3-5-7-18/h3-10,14-15H,2,11-13,16H2,1H3
InChIKeyPRCKGPKGLNUWJI-UHFFFAOYSA-N
XLogP4.64
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 137650046
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CID 942589
CID 942589
CID 943563
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CID 943831
CID 943831
CID 944284
CID 944284
CID 1845204
CID 1845204
CID 1951440
CID 1951440
CID 1962807
CID 1962807
CID 2008611
CID 2008611
CID 2010659
CID 2010659
CID 2020836
CID 2020836

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
The IUPAC name of 7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one (CID 2461072) is 7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one is CCc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1.
What is the InChIKey of 7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
The InChIKey is PRCKGPKGLNUWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-2-17-8-9-21-20(15-23(25)26-22(21)14-17)16-24-12-10-19(11-13-24)18-6-4-3-5-7-18/h3-10,14-15H,2,11-13,16H2,1H3.
What are the key properties of 7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one has a molecular weight of 345.44 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 2461072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).