isoindolo[4,5-i][1]benzazepine

C16H10N2 — CID 87266485

IUPACisoindolo[4,5-i][1]benzazepine
SMILESc1ccc2ccc3c4cncc4ccc3c2nc1
InChIInChI=1S/C16H10N2/c1-2-8-18-16-11(3-1)4-6-13-14(16)7-5-12-9-17-10-15(12)13/h1-10H
InChIKeyNQEFSENUKXZHRS-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.94
Rot. Bonds

About isoindolo[4,5-i][1]benzazepine

isoindolo[4,5-i][1]benzazepine (PubChem CID 87266485) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is isoindolo[4,5-i][1]benzazepine.

Molecular Properties

Compound Nameisoindolo[4,5-i][1]benzazepine
PubChem CID87266485
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Nameisoindolo[4,5-i][1]benzazepine
SMILESc1ccc2ccc3c4cncc4ccc3c2nc1
InChIInChI=1S/C16H10N2/c1-2-8-18-16-11(3-1)4-6-13-14(16)7-5-12-9-17-10-15(12)13/h1-10H
InChIKeyNQEFSENUKXZHRS-UHFFFAOYSA-N
XLogP3.94
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of isoindolo[4,5-i][1]benzazepine?
The IUPAC name of isoindolo[4,5-i][1]benzazepine (CID 87266485) is isoindolo[4,5-i][1]benzazepine.
What is the SMILES notation for isoindolo[4,5-i][1]benzazepine?
The canonical SMILES for isoindolo[4,5-i][1]benzazepine is c1ccc2ccc3c4cncc4ccc3c2nc1.
What is the InChIKey of isoindolo[4,5-i][1]benzazepine?
The InChIKey is NQEFSENUKXZHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2/c1-2-8-18-16-11(3-1)4-6-13-14(16)7-5-12-9-17-10-15(12)13/h1-10H.
What are the key properties of isoindolo[4,5-i][1]benzazepine?
isoindolo[4,5-i][1]benzazepine has a molecular weight of 230.27 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoindolo[4,5-i][1]benzazepine is sourced from PubChem (CID 87266485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).