2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine

C16H14N2 — CID 141336007

IUPAC2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine
SMILESC1=c2ccccc2=NC=c2cc3c(n21)=CCCC3
InChIInChI=1S/C16H14N2/c1-3-7-15-13(6-1)11-18-14(10-17-15)9-12-5-2-4-8-16(12)18/h1,3,6-11H,2,4-5H2
InChIKeyJNQZTJOUVXJEQY-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.26
Rot. Bonds

About 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine

2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine (PubChem CID 141336007) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine.

Molecular Properties

Compound Name2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine
PubChem CID141336007
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine
SMILESC1=c2ccccc2=NC=c2cc3c(n21)=CCCC3
InChIInChI=1S/C16H14N2/c1-3-7-15-13(6-1)11-18-14(10-17-15)9-12-5-2-4-8-16(12)18/h1,3,6-11H,2,4-5H2
InChIKeyJNQZTJOUVXJEQY-UHFFFAOYSA-N
XLogP0.26
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Hexahydroindolo[2,3-a]quinolizine
CID 18963250
Indoloindole
CID 21887135
Pyrrolo[2,1-c][1,4]benzodiazepine
CID 66697609
Pyrrolo[1,2-d][1,4]benzodiazepine
CID 129876712
3-Ethyl-6,7-dihydroindolo[2,3-a]quinolizine
CID 10933868
n-Methylharman
CID 23113700
1-Ethylpyrrolo[2,3-h]quinoline
CID 129782327
1-Ethyl-3h-pyrrolo[2,3-h]quinoline
CID 129782498
7a,10-Diazacyclohepta[def]fluorene
CID 129793584
1-Methylpyrroloquinoline
CID 129800346
beta-Carbolinoindolizine
CID 129874838
Tetrahydrobenzo[b]pyrrolo[2,1-f][1,6]naphthyridine
CID 129879895

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine?
The IUPAC name of 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine (CID 141336007) is 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine.
What is the SMILES notation for 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine?
The canonical SMILES for 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine is C1=c2ccccc2=NC=c2cc3c(n21)=CCCC3.
What is the InChIKey of 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine?
The InChIKey is JNQZTJOUVXJEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-7-15-13(6-1)11-18-14(10-17-15)9-12-5-2-4-8-16(12)18/h1,3,6-11H,2,4-5H2.
What are the key properties of 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine?
2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine has a molecular weight of 234.30 g/mol, XLogP of 0.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indolo[2,1-c][1,4]benzodiazepine is sourced from PubChem (CID 141336007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).