13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid

C24H26N2O3 — CID 58677126

IUPAC13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
SMILESCN1C(=O)CN2c3cc(C(=O)O)ccc3C(C3CCCCC3)C2c2ccccc21
InChIInChI=1S/C24H26N2O3/c1-25-19-10-6-5-9-18(19)23-22(15-7-3-2-4-8-15)17-12-11-16(24(28)29)13-20(17)26(23)14-21(25)27/h5-6,9-13,15,22-23H,2-4,7-8,14H2,1H3,(H,28,29)
InChIKeyHNASYPITMXTYKC-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.59
Rot. Bonds2

About 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid

13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid (PubChem CID 58677126) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid.

Molecular Properties

Compound Name13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
PubChem CID58677126
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid
SMILESCN1C(=O)CN2c3cc(C(=O)O)ccc3C(C3CCCCC3)C2c2ccccc21
InChIInChI=1S/C24H26N2O3/c1-25-19-10-6-5-9-18(19)23-22(15-7-3-2-4-8-15)17-12-11-16(24(28)29)13-20(17)26(23)14-21(25)27/h5-6,9-13,15,22-23H,2-4,7-8,14H2,1H3,(H,28,29)
InChIKeyHNASYPITMXTYKC-UHFFFAOYSA-N
XLogP4.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid?
The IUPAC name of 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid (CID 58677126) is 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid.
What is the SMILES notation for 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid?
The canonical SMILES for 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid is CN1C(=O)CN2c3cc(C(=O)O)ccc3C(C3CCCCC3)C2c2ccccc21.
What is the InChIKey of 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid?
The InChIKey is HNASYPITMXTYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-25-19-10-6-5-9-18(19)23-22(15-7-3-2-4-8-15)17-12-11-16(24(28)29)13-20(17)26(23)14-21(25)27/h5-6,9-13,15,22-23H,2-4,7-8,14H2,1H3,(H,28,29).
What are the key properties of 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid?
13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid has a molecular weight of 390.48 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-cyclohexyl-5-methyl-6-oxo-13,13a-dihydro-7H-indolo[1,2-d][1,4]benzodiazepine-10-carboxylic acid is sourced from PubChem (CID 58677126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).