7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one

C13H12ClN3O2 — CID 169194500

IUPAC7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one
SMILESCc1nnc(Cl)c2cc3c(cc12)OCCC(=O)N3C
InChIInChI=1S/C13H12ClN3O2/c1-7-8-6-11-10(5-9(8)13(14)16-15-7)17(2)12(18)3-4-19-11/h5-6H,3-4H2,1-2H3
InChIKeyMOGGLVBCGGNHCJ-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.34
Rot. Bonds

About 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one

7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one (PubChem CID 169194500) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one.

Molecular Properties

Compound Name7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one
PubChem CID169194500
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC Name7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one
SMILESCc1nnc(Cl)c2cc3c(cc12)OCCC(=O)N3C
InChIInChI=1S/C13H12ClN3O2/c1-7-8-6-11-10(5-9(8)13(14)16-15-7)17(2)12(18)3-4-19-11/h5-6H,3-4H2,1-2H3
InChIKeyMOGGLVBCGGNHCJ-UHFFFAOYSA-N
XLogP2.34
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one?
The IUPAC name of 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one (CID 169194500) is 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one.
What is the SMILES notation for 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one?
The canonical SMILES for 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one is Cc1nnc(Cl)c2cc3c(cc12)OCCC(=O)N3C.
What is the InChIKey of 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one?
The InChIKey is MOGGLVBCGGNHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-7-8-6-11-10(5-9(8)13(14)16-15-7)17(2)12(18)3-4-19-11/h5-6H,3-4H2,1-2H3.
What are the key properties of 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one?
7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one has a molecular weight of 277.71 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one is sourced from PubChem (CID 169194500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).