6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one

C14H14ClN3O2 — CID 169194913

IUPAC6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one
SMILESCc1nnc(Cl)c2cc3c(cc12)OC(C)(C)C(=O)N3C
InChIInChI=1S/C14H14ClN3O2/c1-7-8-6-11-10(5-9(8)12(15)17-16-7)18(4)13(19)14(2,3)20-11/h5-6H,1-4H3
InChIKeyNJDJHPAISHITHB-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.73
Rot. Bonds

About 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one

6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one (PubChem CID 169194913) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one.

Molecular Properties

Compound Name6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one
PubChem CID169194913
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one
SMILESCc1nnc(Cl)c2cc3c(cc12)OC(C)(C)C(=O)N3C
InChIInChI=1S/C14H14ClN3O2/c1-7-8-6-11-10(5-9(8)12(15)17-16-7)18(4)13(19)14(2,3)20-11/h5-6H,1-4H3
InChIKeyNJDJHPAISHITHB-UHFFFAOYSA-N
XLogP2.73
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one?
The IUPAC name of 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one (CID 169194913) is 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one.
What is the SMILES notation for 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one?
The canonical SMILES for 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one is Cc1nnc(Cl)c2cc3c(cc12)OC(C)(C)C(=O)N3C.
What is the InChIKey of 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one?
The InChIKey is NJDJHPAISHITHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-7-8-6-11-10(5-9(8)12(15)17-16-7)18(4)13(19)14(2,3)20-11/h5-6H,1-4H3.
What are the key properties of 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one?
6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one has a molecular weight of 291.74 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,2,4,9-tetramethylpyridazino[4,5-g][1,4]benzoxazin-3-one is sourced from PubChem (CID 169194913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).