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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Related Compounds

cyclopenta[i][1,2]benzodiazepine
CID 150279763
pyrido[3,4-f]phthalazine
CID 122577314
2,9-phenanthroline
CID 23271029
3,8-phenanthroline
CID 13064691
8,9,16,17,18,19,22,23-octazahexacyclo[12.12.0.02,11.05,10.015,20.021,26]hexacosa-1(14),2(11),3,5(10),6,8,12,15(20),16,18,21(26),22,24-tridecaene
CID 175886801
8-methylpyrido[4,3-c]pyridazine
CID 59803302
pyrido[3,2-h]quinazoline
CID 55297723
9,10-diazapentacyclo[10.6.2.02,7.08,20.015,19]icosa-1(18),2,4,6,8(20),9,11,13,15(19),16-decaene
CID 154183141
4,8,14-triazatricyclo[8.4.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 151797185
2,6-naphthyridine-4-thiol
CID 137209130
3,4,5,6,9,10-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaene;pyrazine
CID 158587422
8-methyl-5-quinolin-8-ylisoquinoline
CID 71214016

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).