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

C24H26N2O — CID 59572501

IUPAC10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine
SMILESCc1cc2c(cn1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1O2
InChIInChI=1S/C24H26N2O/c1-15-11-18(24(4,5)6)12-16(2)23(15)26-19-9-7-8-10-21(19)27-22-13-17(3)25-14-20(22)26/h7-14H,1-6H3
InChIKeyVLVXERJBFRZDEZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP6.88
Rot. Bonds1

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

10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine (PubChem CID 59572501) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine
PubChem CID59572501
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine
SMILESCc1cc2c(cn1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1O2
InChIInChI=1S/C24H26N2O/c1-15-11-18(24(4,5)6)12-16(2)23(15)26-19-9-7-8-10-21(19)27-22-13-17(3)25-14-20(22)26/h7-14H,1-6H3
InChIKeyVLVXERJBFRZDEZ-UHFFFAOYSA-N
XLogP6.88
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine?
The IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine (CID 59572501) is 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine.
What is the SMILES notation for 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine?
The canonical SMILES for 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine is Cc1cc2c(cn1)N(c1c(C)cc(C(C)(C)C)cc1C)c1ccccc1O2.
What is the InChIKey of 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine?
The InChIKey is VLVXERJBFRZDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O/c1-15-11-18(24(4,5)6)12-16(2)23(15)26-19-9-7-8-10-21(19)27-22-13-17(3)25-14-20(22)26/h7-14H,1-6H3.
What are the key properties of 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine?
10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine has a molecular weight of 358.49 g/mol, XLogP of 6.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-tert-butyl-2,6-dimethylphenyl)-3-methylpyrido[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 59572501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).