10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine

C23H25N3O — CID 59572623

IUPAC10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)Oc1ccnnc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H25N3O/c1-14-7-8-18-20(11-14)27-19-9-10-24-25-22(19)26(18)21-15(2)12-17(13-16(21)3)23(4,5)6/h7-13H,1-6H3
InChIKeyJFGYETNOVSYZIR-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.27
Rot. Bonds1

About 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine

10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine (PubChem CID 59572623) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine
PubChem CID59572623
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)Oc1ccnnc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H25N3O/c1-14-7-8-18-20(11-14)27-19-9-10-24-25-22(19)26(18)21-15(2)12-17(13-16(21)3)23(4,5)6/h7-13H,1-6H3
InChIKeyJFGYETNOVSYZIR-UHFFFAOYSA-N
XLogP6.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine?
The IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine (CID 59572623) is 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine.
What is the SMILES notation for 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine?
The canonical SMILES for 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine is Cc1ccc2c(c1)Oc1ccnnc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine?
The InChIKey is JFGYETNOVSYZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-14-7-8-18-20(11-14)27-19-9-10-24-25-22(19)26(18)21-15(2)12-17(13-16(21)3)23(4,5)6/h7-13H,1-6H3.
What are the key properties of 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine?
10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine has a molecular weight of 359.47 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tert-butyl-2,6-dimethylphenyl)-7-methylpyridazino[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 59572623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).