3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide

C25H21NO7 — CID 142727306

IUPAC3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3cc(=O)c4c(O)c(OC)c(OC)cc4o3)c2)cc1
InChIInChI=1S/C25H21NO7/c1-30-17-9-7-16(8-10-17)26-25(29)15-6-4-5-14(11-15)19-12-18(27)22-20(33-19)13-21(31-2)24(32-3)23(22)28/h4-13,28H,1-3H3,(H,26,29)
InChIKeyVLZPDFBRVYPFOR-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.44
Rot. Bonds6

About 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide

3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide (PubChem CID 142727306) has the molecular formula C25H21NO7 and a molecular weight of 447.44 g/mol. Its IUPAC name is 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide
PubChem CID142727306
Molecular FormulaC25H21NO7
Molecular Weight447.44 g/mol
Exact Mass447.13
IUPAC Name3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3cc(=O)c4c(O)c(OC)c(OC)cc4o3)c2)cc1
InChIInChI=1S/C25H21NO7/c1-30-17-9-7-16(8-10-17)26-25(29)15-6-4-5-14(11-15)19-12-18(27)22-20(33-19)13-21(31-2)24(32-3)23(22)28/h4-13,28H,1-3H3,(H,26,29)
InChIKeyVLZPDFBRVYPFOR-UHFFFAOYSA-N
XLogP4.44
TPSA107.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide (CID 142727306) is 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide is COc1ccc(NC(=O)c2cccc(-c3cc(=O)c4c(O)c(OC)c(OC)cc4o3)c2)cc1.
What is the InChIKey of 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide?
The InChIKey is VLZPDFBRVYPFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO7/c1-30-17-9-7-16(8-10-17)26-25(29)15-6-4-5-14(11-15)19-12-18(27)22-20(33-19)13-21(31-2)24(32-3)23(22)28/h4-13,28H,1-3H3,(H,26,29).
What are the key properties of 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide?
3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide has a molecular weight of 447.44 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-hydroxy-6,7-dimethoxy-4-oxochromen-2-yl)-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 142727306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).