7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one

C16H15NO3 — CID 22033069

IUPAC7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one
SMILESCOc1ccc2c(c1)OCC(C)(c1cccnc1)C2=O
InChIInChI=1S/C16H15NO3/c1-16(11-4-3-7-17-9-11)10-20-14-8-12(19-2)5-6-13(14)15(16)18/h3-9H,10H2,1-2H3
InChIKeyLBVCZKFZJLFAQL-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.62
Rot. Bonds2

About 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one

7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one (PubChem CID 22033069) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one.

Molecular Properties

Compound Name7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one
PubChem CID22033069
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one
SMILESCOc1ccc2c(c1)OCC(C)(c1cccnc1)C2=O
InChIInChI=1S/C16H15NO3/c1-16(11-4-3-7-17-9-11)10-20-14-8-12(19-2)5-6-13(14)15(16)18/h3-9H,10H2,1-2H3
InChIKeyLBVCZKFZJLFAQL-UHFFFAOYSA-N
XLogP2.62
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one?
The IUPAC name of 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one (CID 22033069) is 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one.
What is the SMILES notation for 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one?
The canonical SMILES for 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one is COc1ccc2c(c1)OCC(C)(c1cccnc1)C2=O.
What is the InChIKey of 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one?
The InChIKey is LBVCZKFZJLFAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-16(11-4-3-7-17-9-11)10-20-14-8-12(19-2)5-6-13(14)15(16)18/h3-9H,10H2,1-2H3.
What are the key properties of 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one?
7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one has a molecular weight of 269.30 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-methyl-3-pyridin-3-yl-2H-chromen-4-one is sourced from PubChem (CID 22033069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).