isoindolo[1,2-c][2,4]benzoxazepine

C16H11NO — CID 142755489

IUPACisoindolo[1,2-c][2,4]benzoxazepine
SMILESC1=c2ccccc2=Cn2cc3ccccc3c2O1
InChIInChI=1S/C16H11NO/c1-2-7-14-11-18-16-15-8-4-3-6-13(15)10-17(16)9-12(14)5-1/h1-11H
InChIKeyYDJDKSVHKWFRAI-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.06
Rot. Bonds

About isoindolo[1,2-c][2,4]benzoxazepine

isoindolo[1,2-c][2,4]benzoxazepine (PubChem CID 142755489) has the molecular formula C16H11NO and a molecular weight of 233.27 g/mol. Its IUPAC name is isoindolo[1,2-c][2,4]benzoxazepine.

Molecular Properties

Compound Nameisoindolo[1,2-c][2,4]benzoxazepine
PubChem CID142755489
Molecular FormulaC16H11NO
Molecular Weight233.27 g/mol
Exact Mass233.08
IUPAC Nameisoindolo[1,2-c][2,4]benzoxazepine
SMILESC1=c2ccccc2=Cn2cc3ccccc3c2O1
InChIInChI=1S/C16H11NO/c1-2-7-14-11-18-16-15-8-4-3-6-13(15)10-17(16)9-12(14)5-1/h1-11H
InChIKeyYDJDKSVHKWFRAI-UHFFFAOYSA-N
XLogP2.06
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxyisoquinoline
CID 141052
4-methoxy-2H-isoindole
CID 142633953
2-Ethoxy-1-ethyl-4-phenyl-3-[4-(trifluoromethyl)phenyl]pyrrole
CID 102423192
1-Prop-1-ynoxyisoquinoline
CID 11206176
3-Methoxyisoquinoline
CID 12464194
N-carbobenzyloxyisoindole
CID 15866180
1-methoxy-2H-isoindole
CID 91389894
1-Prop-2-enoxyisoquinoline
CID 119092728
2-(4-methoxyphenyl)-1-methyl-2H-isoindole
CID 14288922
6-Fluoro-1-methoxyisoquinoline
CID 58468174
2-[4-(4-Fluorophenoxy)cyclohexyl]isoindole
CID 69496210
5-Fluoro-1-methoxyisoquinoline
CID 70328671

Frequently Asked Questions

What is the IUPAC name of isoindolo[1,2-c][2,4]benzoxazepine?
The IUPAC name of isoindolo[1,2-c][2,4]benzoxazepine (CID 142755489) is isoindolo[1,2-c][2,4]benzoxazepine.
What is the SMILES notation for isoindolo[1,2-c][2,4]benzoxazepine?
The canonical SMILES for isoindolo[1,2-c][2,4]benzoxazepine is C1=c2ccccc2=Cn2cc3ccccc3c2O1.
What is the InChIKey of isoindolo[1,2-c][2,4]benzoxazepine?
The InChIKey is YDJDKSVHKWFRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO/c1-2-7-14-11-18-16-15-8-4-3-6-13(15)10-17(16)9-12(14)5-1/h1-11H.
What are the key properties of isoindolo[1,2-c][2,4]benzoxazepine?
isoindolo[1,2-c][2,4]benzoxazepine has a molecular weight of 233.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoindolo[1,2-c][2,4]benzoxazepine is sourced from PubChem (CID 142755489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).