pyrimido[5,4-d][1]benzazepin-6-one

C12H7N3O — CID 87361676

IUPACpyrimido[5,4-d][1]benzazepin-6-one
SMILESO=c1cc2cncnc2c2ccccc2n1
InChIInChI=1S/C12H7N3O/c16-11-5-8-6-13-7-14-12(8)9-3-1-2-4-10(9)15-11/h1-7H
InChIKeyBSFKPOFRMNBZQK-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.54
Rot. Bonds

About pyrimido[5,4-d][1]benzazepin-6-one

pyrimido[5,4-d][1]benzazepin-6-one (PubChem CID 87361676) has the molecular formula C12H7N3O and a molecular weight of 209.21 g/mol. Its IUPAC name is pyrimido[5,4-d][1]benzazepin-6-one.

Molecular Properties

Compound Namepyrimido[5,4-d][1]benzazepin-6-one
PubChem CID87361676
Molecular FormulaC12H7N3O
Molecular Weight209.21 g/mol
Exact Mass209.06
IUPAC Namepyrimido[5,4-d][1]benzazepin-6-one
SMILESO=c1cc2cncnc2c2ccccc2n1
InChIInChI=1S/C12H7N3O/c16-11-5-8-6-13-7-14-12(8)9-3-1-2-4-10(9)15-11/h1-7H
InChIKeyBSFKPOFRMNBZQK-UHFFFAOYSA-N
XLogP1.54
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimido[5,4-d][1]benzazepin-6-one?
The IUPAC name of pyrimido[5,4-d][1]benzazepin-6-one (CID 87361676) is pyrimido[5,4-d][1]benzazepin-6-one.
What is the SMILES notation for pyrimido[5,4-d][1]benzazepin-6-one?
The canonical SMILES for pyrimido[5,4-d][1]benzazepin-6-one is O=c1cc2cncnc2c2ccccc2n1.
What is the InChIKey of pyrimido[5,4-d][1]benzazepin-6-one?
The InChIKey is BSFKPOFRMNBZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O/c16-11-5-8-6-13-7-14-12(8)9-3-1-2-4-10(9)15-11/h1-7H.
What are the key properties of pyrimido[5,4-d][1]benzazepin-6-one?
pyrimido[5,4-d][1]benzazepin-6-one has a molecular weight of 209.21 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[5,4-d][1]benzazepin-6-one is sourced from PubChem (CID 87361676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).