isoindolo[4,5-i][1,2]benzodiazepine

C15H9N3 — CID 154190372

IUPACisoindolo[4,5-i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1c3cncc3ccc12
InChIInChI=1S/C15H9N3/c1-2-10-3-5-12-13(15(10)18-17-7-1)6-4-11-8-16-9-14(11)12/h1-9H
InChIKeyPWAPSWVKWXPEDP-UHFFFAOYSA-N
MW231.26 g/mol
LogP3.33
Rot. Bonds

About isoindolo[4,5-i][1,2]benzodiazepine

isoindolo[4,5-i][1,2]benzodiazepine (PubChem CID 154190372) has the molecular formula C15H9N3 and a molecular weight of 231.26 g/mol. Its IUPAC name is isoindolo[4,5-i][1,2]benzodiazepine.

Molecular Properties

Compound Nameisoindolo[4,5-i][1,2]benzodiazepine
PubChem CID154190372
Molecular FormulaC15H9N3
Molecular Weight231.26 g/mol
Exact Mass231.08
IUPAC Nameisoindolo[4,5-i][1,2]benzodiazepine
SMILESc1cnnc2c(c1)ccc1c3cncc3ccc12
InChIInChI=1S/C15H9N3/c1-2-10-3-5-12-13(15(10)18-17-7-1)6-4-11-8-16-9-14(11)12/h1-9H
InChIKeyPWAPSWVKWXPEDP-UHFFFAOYSA-N
XLogP3.33
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of isoindolo[4,5-i][1,2]benzodiazepine?
The IUPAC name of isoindolo[4,5-i][1,2]benzodiazepine (CID 154190372) is isoindolo[4,5-i][1,2]benzodiazepine.
What is the SMILES notation for isoindolo[4,5-i][1,2]benzodiazepine?
The canonical SMILES for isoindolo[4,5-i][1,2]benzodiazepine is c1cnnc2c(c1)ccc1c3cncc3ccc12.
What is the InChIKey of isoindolo[4,5-i][1,2]benzodiazepine?
The InChIKey is PWAPSWVKWXPEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3/c1-2-10-3-5-12-13(15(10)18-17-7-1)6-4-11-8-16-9-14(11)12/h1-9H.
What are the key properties of isoindolo[4,5-i][1,2]benzodiazepine?
isoindolo[4,5-i][1,2]benzodiazepine has a molecular weight of 231.26 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for isoindolo[4,5-i][1,2]benzodiazepine is sourced from PubChem (CID 154190372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).