8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one

C12H7ClN2O2 — CID 10263976

IUPAC8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one
SMILESO=C1Nc2cccnc2Oc2ccc(Cl)cc21
InChIInChI=1S/C12H7ClN2O2/c13-7-3-4-10-8(6-7)11(16)15-9-2-1-5-14-12(9)17-10/h1-6H,(H,15,16)
InChIKeyDUKFAOCWZPDIMF-UHFFFAOYSA-N
MW246.65 g/mol
LogP3.09
Rot. Bonds

About 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one

8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one (PubChem CID 10263976) has the molecular formula C12H7ClN2O2 and a molecular weight of 246.65 g/mol. Its IUPAC name is 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one.

Molecular Properties

Compound Name8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one
PubChem CID10263976
Molecular FormulaC12H7ClN2O2
Molecular Weight246.65 g/mol
Exact Mass246.02
IUPAC Name8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one
SMILESO=C1Nc2cccnc2Oc2ccc(Cl)cc21
InChIInChI=1S/C12H7ClN2O2/c13-7-3-4-10-8(6-7)11(16)15-9-2-1-5-14-12(9)17-10/h1-6H,(H,15,16)
InChIKeyDUKFAOCWZPDIMF-UHFFFAOYSA-N
XLogP3.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.65
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one?
The IUPAC name of 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one (CID 10263976) is 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one.
What is the SMILES notation for 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one?
The canonical SMILES for 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one is O=C1Nc2cccnc2Oc2ccc(Cl)cc21.
What is the InChIKey of 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one?
The InChIKey is DUKFAOCWZPDIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O2/c13-7-3-4-10-8(6-7)11(16)15-9-2-1-5-14-12(9)17-10/h1-6H,(H,15,16).
What are the key properties of 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one?
8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one has a molecular weight of 246.65 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5H-pyrido[2,3-b][1,4]benzoxazepin-6-one is sourced from PubChem (CID 10263976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).