7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one

C16H12N2O2 — CID 54128793

IUPAC7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one
SMILESCN1C(=O)c2[nH]c3ccccc3c2Oc2ccccc21
InChIInChI=1S/C16H12N2O2/c1-18-12-8-4-5-9-13(12)20-15-10-6-2-3-7-11(10)17-14(15)16(18)19/h2-9,17H,1H3
InChIKeyNSVKUOCQNTVVKV-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.55
Rot. Bonds

About 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one

7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one (PubChem CID 54128793) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one.

Molecular Properties

Compound Name7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one
PubChem CID54128793
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one
SMILESCN1C(=O)c2[nH]c3ccccc3c2Oc2ccccc21
InChIInChI=1S/C16H12N2O2/c1-18-12-8-4-5-9-13(12)20-15-10-6-2-3-7-11(10)17-14(15)16(18)19/h2-9,17H,1H3
InChIKeyNSVKUOCQNTVVKV-UHFFFAOYSA-N
XLogP3.55
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one?
The IUPAC name of 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one (CID 54128793) is 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one.
What is the SMILES notation for 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one?
The canonical SMILES for 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one is CN1C(=O)c2[nH]c3ccccc3c2Oc2ccccc21.
What is the InChIKey of 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one?
The InChIKey is NSVKUOCQNTVVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-18-12-8-4-5-9-13(12)20-15-10-6-2-3-7-11(10)17-14(15)16(18)19/h2-9,17H,1H3.
What are the key properties of 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one?
7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one has a molecular weight of 264.28 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5H-indolo[3,2-b][1,5]benzoxazepin-6-one is sourced from PubChem (CID 54128793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).