4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide

C31H32N2O7 — CID 46873197

IUPAC4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C31H32N2O7/c1-33-14-12-22(13-15-33)39-27-11-8-20-18-25(31(35)40-28(20)29(27)38-4)32-30(34)21-9-10-26(37-3)24(17-21)19-6-5-7-23(16-19)36-2/h5-11,16-18,22H,12-15H2,1-4H3,(H,32,34)
InChIKeyFYNWFSJMQKURFE-UHFFFAOYSA-N
MW544.60 g/mol
LogP5.21
Rot. Bonds8

About 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide

4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide (PubChem CID 46873197) has the molecular formula C31H32N2O7 and a molecular weight of 544.60 g/mol. Its IUPAC name is 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide
PubChem CID46873197
Molecular FormulaC31H32N2O7
Molecular Weight544.60 g/mol
Exact Mass544.22
IUPAC Name4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)ccc2OC)c1
InChIInChI=1S/C31H32N2O7/c1-33-14-12-22(13-15-33)39-27-11-8-20-18-25(31(35)40-28(20)29(27)38-4)32-30(34)21-9-10-26(37-3)24(17-21)19-6-5-7-23(16-19)36-2/h5-11,16-18,22H,12-15H2,1-4H3,(H,32,34)
InChIKeyFYNWFSJMQKURFE-UHFFFAOYSA-N
XLogP5.21
TPSA99.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.60
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide with MolForge

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Related Compounds

1-[2-Oxo-2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperidine-2-carboxylic acid 4-phenyl-1-(3-phenyl-propyl)-butyl ester
CID 9938653
1-[2-[4-[2-[[7-hydroxy-3-(4-hydroxyphenyl)-2-oxochromen-4-yl]amino]acetyl]-2-methylphenoxy]ethyl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
CID 168291206
6,7-dimethoxy-3-methoxycarbonyl-2-morpholino-4-(3,4,5-trimethoxyphenyl)-1(2H)-isoquinolinone
CID 10885756
2-Benzyl-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxy-phenyl)-1,2-dihydro-isoquinoline-3-carboxylic acid methyl ester
CID 11114030
6,7-Dimethoxy-1-oxo-2-piperidin-1-yl-4-(3,4,5-trimethoxy-phenyl)-1,2-dihydro-isoquinoline-3-carboxylic acid methyl ester
CID 11730938
[6-Methoxy-3-[[4-methoxy-3-(3-methoxyphenyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl] acetate
CID 44629117
4-[2-(dimethylamino)ethoxy]-3-(3-methylbut-2-enyl)-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]benzamide
CID 46872861
3-(3-methylbut-2-enyl)-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 46872984
4-[3-(dimethylamino)propoxy]-3-(3-methylbut-2-enyl)-N-[8-methyl-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]benzamide
CID 46873095
4-methoxy-N-(8-methoxy-2-oxo-7-piperidin-3-yloxychromen-3-yl)-3-(3-methoxyphenyl)benzamide
CID 46873196
N-[7-[3-(dimethylamino)propoxy]-8-methoxy-2-oxochromen-3-yl]-4-methoxy-3-(3-methoxyphenyl)benzamide
CID 46873404
4-hydroxy-3-(3-methylbut-2-enyl)-N-(8-methyl-2-oxo-7-piperidin-3-yloxychromen-3-yl)benzamide
CID 46873406

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide (CID 46873197) is 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide is COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OC5CCN(C)CC5)c(OC)c4oc3=O)ccc2OC)c1.
What is the InChIKey of 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide?
The InChIKey is FYNWFSJMQKURFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O7/c1-33-14-12-22(13-15-33)39-27-11-8-20-18-25(31(35)40-28(20)29(27)38-4)32-30(34)21-9-10-26(37-3)24(17-21)19-6-5-7-23(16-19)36-2/h5-11,16-18,22H,12-15H2,1-4H3,(H,32,34).
What are the key properties of 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide?
4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide has a molecular weight of 544.60 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[8-methoxy-7-(1-methylpiperidin-4-yl)oxy-2-oxochromen-3-yl]-3-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 46873197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).