10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine

C24H27N3O — CID 59573305

IUPAC10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1cnnc(C)c1O2
InChIInChI=1S/C24H27N3O/c1-14-8-9-21-19(10-14)27(20-13-25-26-17(4)23(20)28-21)22-15(2)11-18(12-16(22)3)24(5,6)7/h8-13H,1-7H3
InChIKeyOHGOMYQOTNEFGQ-UHFFFAOYSA-N
MW373.50 g/mol
LogP6.58
Rot. Bonds1

About 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine

10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine (PubChem CID 59573305) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine.

Molecular Properties

Compound Name10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine
PubChem CID59573305
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1cnnc(C)c1O2
InChIInChI=1S/C24H27N3O/c1-14-8-9-21-19(10-14)27(20-13-25-26-17(4)23(20)28-21)22-15(2)11-18(12-16(22)3)24(5,6)7/h8-13H,1-7H3
InChIKeyOHGOMYQOTNEFGQ-UHFFFAOYSA-N
XLogP6.58
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.50
LogP ≤ 56.58
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)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine?
The IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine (CID 59573305) is 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine.
What is the SMILES notation for 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine?
The canonical SMILES for 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine is Cc1ccc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1cnnc(C)c1O2.
What is the InChIKey of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine?
The InChIKey is OHGOMYQOTNEFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-14-8-9-21-19(10-14)27(20-13-25-26-17(4)23(20)28-21)22-15(2)11-18(12-16(22)3)24(5,6)7/h8-13H,1-7H3.
What are the key properties of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine?
10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine has a molecular weight of 373.50 g/mol, XLogP of 6.58, 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)-4,8-dimethylpyridazino[4,5-b][1,4]benzoxazine is sourced from PubChem (CID 59573305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).