1H-[1,4]oxazepino[2,3-c]quinolin-2-one

C12H8N2O2 — CID 164883283

IUPAC1H-[1,4]oxazepino[2,3-c]quinolin-2-one
SMILESO=C1C=COc2cnc3ccccc3c2N1
InChIInChI=1S/C12H8N2O2/c15-11-5-6-16-10-7-13-9-4-2-1-3-8(9)12(10)14-11/h1-7H,(H,14,15)
InChIKeyRPDRCFSZTCFTCU-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.08
Rot. Bonds

About 1H-[1,4]oxazepino[2,3-c]quinolin-2-one

1H-[1,4]oxazepino[2,3-c]quinolin-2-one (PubChem CID 164883283) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 1H-[1,4]oxazepino[2,3-c]quinolin-2-one.

Molecular Properties

Compound Name1H-[1,4]oxazepino[2,3-c]quinolin-2-one
PubChem CID164883283
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name1H-[1,4]oxazepino[2,3-c]quinolin-2-one
SMILESO=C1C=COc2cnc3ccccc3c2N1
InChIInChI=1S/C12H8N2O2/c15-11-5-6-16-10-7-13-9-4-2-1-3-8(9)12(10)14-11/h1-7H,(H,14,15)
InChIKeyRPDRCFSZTCFTCU-UHFFFAOYSA-N
XLogP2.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-[1,4]oxazepino[2,3-c]quinolin-2-one?
The IUPAC name of 1H-[1,4]oxazepino[2,3-c]quinolin-2-one (CID 164883283) is 1H-[1,4]oxazepino[2,3-c]quinolin-2-one.
What is the SMILES notation for 1H-[1,4]oxazepino[2,3-c]quinolin-2-one?
The canonical SMILES for 1H-[1,4]oxazepino[2,3-c]quinolin-2-one is O=C1C=COc2cnc3ccccc3c2N1.
What is the InChIKey of 1H-[1,4]oxazepino[2,3-c]quinolin-2-one?
The InChIKey is RPDRCFSZTCFTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-11-5-6-16-10-7-13-9-4-2-1-3-8(9)12(10)14-11/h1-7H,(H,14,15).
What are the key properties of 1H-[1,4]oxazepino[2,3-c]quinolin-2-one?
1H-[1,4]oxazepino[2,3-c]quinolin-2-one has a molecular weight of 212.21 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-[1,4]oxazepino[2,3-c]quinolin-2-one is sourced from PubChem (CID 164883283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).