4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide

C30H28N2O6 — CID 46873195

IUPAC4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C30H28N2O6/c1-18-26(37-23-8-5-13-31-17-23)11-9-20-16-25(30(34)38-28(18)20)32-29(33)21-10-12-27(36-3)24(15-21)19-6-4-7-22(14-19)35-2/h4-12,14-16,23,31H,13,17H2,1-3H3,(H,32,33)
InChIKeyKKIDKAVGGAJLSP-UHFFFAOYSA-N
MW512.56 g/mol
LogP4.94
Rot. Bonds7

About 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide

4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide (PubChem CID 46873195) has the molecular formula C30H28N2O6 and a molecular weight of 512.56 g/mol. Its IUPAC name is 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide
PubChem CID46873195
Molecular FormulaC30H28N2O6
Molecular Weight512.56 g/mol
Exact Mass512.19
IUPAC Name4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C30H28N2O6/c1-18-26(37-23-8-5-13-31-17-23)11-9-20-16-25(30(34)38-28(18)20)32-29(33)21-10-12-27(36-3)24(15-21)19-6-4-7-22(14-19)35-2/h4-12,14-16,23,31H,13,17H2,1-3H3,(H,32,33)
InChIKeyKKIDKAVGGAJLSP-UHFFFAOYSA-N
XLogP4.94
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.56
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide?
The IUPAC name of 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide (CID 46873195) is 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide?
The canonical SMILES for 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide is COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5C=CCNC5)c(C)c4oc3=O)ccc2OC)c1.
What is the InChIKey of 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide?
The InChIKey is KKIDKAVGGAJLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2O6/c1-18-26(37-23-8-5-13-31-17-23)11-9-20-16-25(30(34)38-28(18)20)32-29(33)21-10-12-27(36-3)24(15-21)19-6-4-7-22(14-19)35-2/h4-12,14-16,23,31H,13,17H2,1-3H3,(H,32,33).
What are the key properties of 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide?
4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide has a molecular weight of 512.56 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(3-methoxyphenyl)-N-[8-methyl-2-oxo-7-(1,2,3,6-tetrahydropyridin-3-yloxy)chromen-3-yl]benzamide is sourced from PubChem (CID 46873195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).