13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid

C30H29NO4 — CID 11525611

IUPAC13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OCc2ccccc2)ccc1-3
InChIInChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-18-23(35-19-20-7-3-1-4-8-20)12-14-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33)
InChIKeyZGTZSYZCOFTVJF-UHFFFAOYSA-N
MW467.57 g/mol
LogP7.03
Rot. Bonds5

About 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid

13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid (PubChem CID 11525611) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid.

Molecular Properties

Compound Name13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid
PubChem CID11525611
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC Name13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid
SMILESO=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OCc2ccccc2)ccc1-3
InChIInChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-18-23(35-19-20-7-3-1-4-8-20)12-14-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33)
InChIKeyZGTZSYZCOFTVJF-UHFFFAOYSA-N
XLogP7.03
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-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 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid?
The IUPAC name of 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid (CID 11525611) is 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid.
What is the SMILES notation for 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid?
The canonical SMILES for 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid is O=C(O)c1ccc2c(C3CCCCC3)c3n(c2c1)CCOc1cc(OCc2ccccc2)ccc1-3.
What is the InChIKey of 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid?
The InChIKey is ZGTZSYZCOFTVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c32-30(33)22-11-13-24-26(17-22)31-15-16-34-27-18-23(35-19-20-7-3-1-4-8-20)12-14-25(27)29(31)28(24)21-9-5-2-6-10-21/h1,3-4,7-8,11-14,17-18,21H,2,5-6,9-10,15-16,19H2,(H,32,33).
What are the key properties of 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid?
13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid has a molecular weight of 467.57 g/mol, XLogP of 7.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-3-phenylmethoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid is sourced from PubChem (CID 11525611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).