5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one

C25H25NO4 — CID 71065162

IUPAC5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one
SMILESCCCOc1ccc(C2Oc3cc(OC)ccc3C(C)=C2c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C25H25NO4/c1-4-13-29-19-8-5-17(6-9-19)25-24(18-7-12-23(27)26-15-18)16(2)21-11-10-20(28-3)14-22(21)30-25/h5-12,14-15,25H,4,13H2,1-3H3,(H,26,27)
InChIKeyRAGAECXAOSJVHY-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.24
Rot. Bonds6

About 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one

5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one (PubChem CID 71065162) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one
PubChem CID71065162
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one
SMILESCCCOc1ccc(C2Oc3cc(OC)ccc3C(C)=C2c2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C25H25NO4/c1-4-13-29-19-8-5-17(6-9-19)25-24(18-7-12-23(27)26-15-18)16(2)21-11-10-20(28-3)14-22(21)30-25/h5-12,14-15,25H,4,13H2,1-3H3,(H,26,27)
InChIKeyRAGAECXAOSJVHY-UHFFFAOYSA-N
XLogP5.24
TPSA60.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one (CID 71065162) is 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one is CCCOc1ccc(C2Oc3cc(OC)ccc3C(C)=C2c2ccc(=O)[nH]c2)cc1.
What is the InChIKey of 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one?
The InChIKey is RAGAECXAOSJVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-4-13-29-19-8-5-17(6-9-19)25-24(18-7-12-23(27)26-15-18)16(2)21-11-10-20(28-3)14-22(21)30-25/h5-12,14-15,25H,4,13H2,1-3H3,(H,26,27).
What are the key properties of 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one?
5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one has a molecular weight of 403.48 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-methoxy-4-methyl-2-(4-propoxyphenyl)-2H-chromen-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 71065162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).