7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one

C21H18N2O2 — CID 67378439

IUPAC7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one
SMILESCc1ccc2c(=O)c(/C=C3\CCCN=C3c3cccnc3)coc2c1
InChIInChI=1S/C21H18N2O2/c1-14-6-7-18-19(10-14)25-13-17(21(18)24)11-15-4-3-9-23-20(15)16-5-2-8-22-12-16/h2,5-8,10-13H,3-4,9H2,1H3/b15-11+
InChIKeyVHWWZBIBOIJMGL-RVDMUPIBSA-N
MW330.39 g/mol
LogP4.16
Rot. Bonds2

About 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one

7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one (PubChem CID 67378439) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one.

Molecular Properties

Compound Name7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one
PubChem CID67378439
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one
SMILESCc1ccc2c(=O)c(/C=C3\CCCN=C3c3cccnc3)coc2c1
InChIInChI=1S/C21H18N2O2/c1-14-6-7-18-19(10-14)25-13-17(21(18)24)11-15-4-3-9-23-20(15)16-5-2-8-22-12-16/h2,5-8,10-13H,3-4,9H2,1H3/b15-11+
InChIKeyVHWWZBIBOIJMGL-RVDMUPIBSA-N
XLogP4.16
TPSA55.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one?
The IUPAC name of 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one (CID 67378439) is 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one.
What is the SMILES notation for 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one?
The canonical SMILES for 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one is Cc1ccc2c(=O)c(/C=C3\CCCN=C3c3cccnc3)coc2c1.
What is the InChIKey of 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one?
The InChIKey is VHWWZBIBOIJMGL-RVDMUPIBSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-14-6-7-18-19(10-14)25-13-17(21(18)24)11-15-4-3-9-23-20(15)16-5-2-8-22-12-16/h2,5-8,10-13H,3-4,9H2,1H3/b15-11+.
What are the key properties of 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one?
7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one has a molecular weight of 330.39 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-[(E)-(6-pyridin-3-yl-3,4-dihydro-2H-pyridin-5-ylidene)methyl]chromen-4-one is sourced from PubChem (CID 67378439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).