6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one

C12H10ClN3O2 — CID 167310862

IUPAC6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one
SMILESCc1nnc(Cl)c2cc3c(cc12)OCC(=O)N3C
InChIInChI=1S/C12H10ClN3O2/c1-6-7-4-10-9(16(2)11(17)5-18-10)3-8(7)12(13)15-14-6/h3-4H,5H2,1-2H3
InChIKeyZHZLDBZKHUAAKW-UHFFFAOYSA-N
MW263.68 g/mol
LogP1.95
Rot. Bonds

About 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one

6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one (PubChem CID 167310862) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one
PubChem CID167310862
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one
SMILESCc1nnc(Cl)c2cc3c(cc12)OCC(=O)N3C
InChIInChI=1S/C12H10ClN3O2/c1-6-7-4-10-9(16(2)11(17)5-18-10)3-8(7)12(13)15-14-6/h3-4H,5H2,1-2H3
InChIKeyZHZLDBZKHUAAKW-UHFFFAOYSA-N
XLogP1.95
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Chloro-3,8-dimethyl-[1,3]oxazolo[5,4-g]phthalazin-2-one
CID 167310757
5-Chloro-8-methyl-3-propan-2-yl-[1,3]oxazolo[5,4-g]phthalazin-2-one
CID 167310890
7-Chloro-5,10-dimethyl-2,3-dihydropyridazino[4,5-h][1,5]benzoxazepin-4-one
CID 169194500
6'-Chloro-4',9'-dimethylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one
CID 169194730
6'-Chloro-9'-methyl-4'-propan-2-ylspiro[cyclopropane-1,2'-pyridazino[4,5-g][1,4]benzoxazine]-3'-one
CID 169194902
6-Chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one
CID 169194913
4-[4-Chloro-1-methyl-7-(7-phenylmethoxyheptoxy)phthalazin-6-yl]morpholine
CID 169313415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one?
The IUPAC name of 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one (CID 167310862) is 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one.
What is the SMILES notation for 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one?
The canonical SMILES for 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one is Cc1nnc(Cl)c2cc3c(cc12)OCC(=O)N3C.
What is the InChIKey of 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one?
The InChIKey is ZHZLDBZKHUAAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-6-7-4-10-9(16(2)11(17)5-18-10)3-8(7)12(13)15-14-6/h3-4H,5H2,1-2H3.
What are the key properties of 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one?
6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one has a molecular weight of 263.68 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,9-dimethylpyridazino[4,5-g][1,4]benzoxazin-3-one is sourced from PubChem (CID 167310862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).