7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one

C23H23NO2 — CID 2088232

IUPAC7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1C
InChIInChI=1S/C23H23NO2/c1-16-8-9-21-20(14-22(25)26-23(21)17(16)2)15-24-12-10-19(11-13-24)18-6-4-3-5-7-18/h3-10,14H,11-13,15H2,1-2H3
InChIKeyMRMOXRHPRLBWFV-UHFFFAOYSA-N
MW345.44 g/mol
LogP4.70
Rot. Bonds3

About 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one

7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one (PubChem CID 2088232) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one.

Molecular Properties

Compound Name7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one
PubChem CID2088232
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one
SMILESCc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1C
InChIInChI=1S/C23H23NO2/c1-16-8-9-21-20(14-22(25)26-23(21)17(16)2)15-24-12-10-19(11-13-24)18-6-4-3-5-7-18/h3-10,14H,11-13,15H2,1-2H3
InChIKeyMRMOXRHPRLBWFV-UHFFFAOYSA-N
XLogP4.70
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.70
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 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
The IUPAC name of 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one (CID 2088232) is 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one.
What is the SMILES notation for 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
The canonical SMILES for 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one is Cc1ccc2c(CN3CC=C(c4ccccc4)CC3)cc(=O)oc2c1C.
What is the InChIKey of 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
The InChIKey is MRMOXRHPRLBWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO2/c1-16-8-9-21-20(14-22(25)26-23(21)17(16)2)15-24-12-10-19(11-13-24)18-6-4-3-5-7-18/h3-10,14H,11-13,15H2,1-2H3.
What are the key properties of 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one?
7,8-dimethyl-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 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]chromen-2-one is sourced from PubChem (CID 2088232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).