9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol

C18H11Cl2N3O — CID 13202326

IUPAC9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol
SMILESOC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2-c2ncncc21
InChIInChI=1S/C18H11Cl2N3O/c19-10-5-6-11-13(7-10)17(12-3-1-2-4-15(12)20)23-18(24)14-8-21-9-22-16(11)14/h1-9,18,24H
InChIKeyYEUONTMBLBKVLO-UHFFFAOYSA-N
MW356.21 g/mol
LogP4.29
Rot. Bonds1

About 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol

9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol (PubChem CID 13202326) has the molecular formula C18H11Cl2N3O and a molecular weight of 356.21 g/mol. Its IUPAC name is 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol.

Molecular Properties

Compound Name9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol
PubChem CID13202326
Molecular FormulaC18H11Cl2N3O
Molecular Weight356.21 g/mol
Exact Mass355.03
IUPAC Name9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol
SMILESOC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2-c2ncncc21
InChIInChI=1S/C18H11Cl2N3O/c19-10-5-6-11-13(7-10)17(12-3-1-2-4-15(12)20)23-18(24)14-8-21-9-22-16(11)14/h1-9,18,24H
InChIKeyYEUONTMBLBKVLO-UHFFFAOYSA-N
XLogP4.29
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.21
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol?
The IUPAC name of 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol (CID 13202326) is 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol.
What is the SMILES notation for 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol?
The canonical SMILES for 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol is OC1N=C(c2ccccc2Cl)c2cc(Cl)ccc2-c2ncncc21.
What is the InChIKey of 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol?
The InChIKey is YEUONTMBLBKVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O/c19-10-5-6-11-13(7-10)17(12-3-1-2-4-15(12)20)23-18(24)14-8-21-9-22-16(11)14/h1-9,18,24H.
What are the key properties of 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol?
9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol has a molecular weight of 356.21 g/mol, XLogP of 4.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-7-(2-chlorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-5-ol is sourced from PubChem (CID 13202326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).