10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid

C31H31NO5 — CID 67589493

IUPAC10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid
SMILESCOc1cccc(C2c3ccccc3CC3(C(=O)O)C2C2CCC3N2C(=O)Cc2ccccc2OC)c1
InChIInChI=1S/C31H31NO5/c1-36-22-11-7-10-20(16-22)28-23-12-5-3-9-21(23)18-31(30(34)35)26-15-14-24(29(28)31)32(26)27(33)17-19-8-4-6-13-25(19)37-2/h3-13,16,24,26,28-29H,14-15,17-18H2,1-2H3,(H,34,35)
InChIKeyHXDDGWUBFGNQAU-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.69
Rot. Bonds6

About 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid

10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid (PubChem CID 67589493) has the molecular formula C31H31NO5 and a molecular weight of 497.59 g/mol. Its IUPAC name is 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid.

Molecular Properties

Compound Name10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid
PubChem CID67589493
Molecular FormulaC31H31NO5
Molecular Weight497.59 g/mol
Exact Mass497.22
IUPAC Name10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid
SMILESCOc1cccc(C2c3ccccc3CC3(C(=O)O)C2C2CCC3N2C(=O)Cc2ccccc2OC)c1
InChIInChI=1S/C31H31NO5/c1-36-22-11-7-10-20(16-22)28-23-12-5-3-9-21(23)18-31(30(34)35)26-15-14-24(29(28)31)32(26)27(33)17-19-8-4-6-13-25(19)37-2/h3-13,16,24,26,28-29H,14-15,17-18H2,1-2H3,(H,34,35)
InChIKeyHXDDGWUBFGNQAU-UHFFFAOYSA-N
XLogP4.69
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid?
The IUPAC name of 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid (CID 67589493) is 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid.
What is the SMILES notation for 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid?
The canonical SMILES for 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid is COc1cccc(C2c3ccccc3CC3(C(=O)O)C2C2CCC3N2C(=O)Cc2ccccc2OC)c1.
What is the InChIKey of 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid?
The InChIKey is HXDDGWUBFGNQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31NO5/c1-36-22-11-7-10-20(16-22)28-23-12-5-3-9-21(23)18-31(30(34)35)26-15-14-24(29(28)31)32(26)27(33)17-19-8-4-6-13-25(19)37-2/h3-13,16,24,26,28-29H,14-15,17-18H2,1-2H3,(H,34,35).
What are the key properties of 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid?
10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid has a molecular weight of 497.59 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-methoxyphenyl)-15-[2-(2-methoxyphenyl)acetyl]-15-azatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-2-carboxylic acid is sourced from PubChem (CID 67589493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).