10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine

C25H28N2O — CID 59572706

IUPAC10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1nccc(C)c1O2
InChIInChI=1S/C25H28N2O/c1-15-8-9-21-20(12-15)27(24-23(28-21)16(2)10-11-26-24)22-17(3)13-19(14-18(22)4)25(5,6)7/h8-14H,1-7H3
InChIKeyAKZOEZWCDMYPLF-UHFFFAOYSA-N
MW372.51 g/mol
LogP7.19
Rot. Bonds1

About 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine

10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine (PubChem CID 59572706) has the molecular formula C25H28N2O and a molecular weight of 372.51 g/mol. Its IUPAC name is 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine.

Molecular Properties

Compound Name10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine
PubChem CID59572706
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1nccc(C)c1O2
InChIInChI=1S/C25H28N2O/c1-15-8-9-21-20(12-15)27(24-23(28-21)16(2)10-11-26-24)22-17(3)13-19(14-18(22)4)25(5,6)7/h8-14H,1-7H3
InChIKeyAKZOEZWCDMYPLF-UHFFFAOYSA-N
XLogP7.19
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.51
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine with MolForge

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Related Compounds

4-[3-[4-(Quinolin-2-ylmethoxy)phenyl]-2-pyridinyl]morpholine
CID 71455564
(1R)-1-naphthalen-1-yl-N-[(4-pyridin-2-yl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]ethanamine
CID 60202361
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-4-(2-phenylethyl)-
CID 13212015
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-4-(1-phenylethyl)-
CID 13212016
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2-methyl-4-(2-phenylethyl)-
CID 13212018
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2-methyl-4-(1-phenylethyl)-
CID 13212019
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2,2-dimethyl-4-(phenylmethyl)-
CID 13212020
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2,2-dimethyl-4-(2-phenylethyl)-
CID 13212021
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2,2-dimethyl-4-(1-phenylethyl)-
CID 13212022
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2-ethyl-4-(phenylmethyl)-
CID 13212023
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2-ethyl-4-(2-phenylethyl)-
CID 13212024
2H-Pyrido(3,2-b)-1,4-oxazine, 3,4-dihydro-2-ethyl-4-(1-phenylethyl)-
CID 13212025

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine?
The IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine (CID 59572706) is 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine.
What is the SMILES notation for 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine?
The canonical SMILES for 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine is Cc1ccc2c(c1)N(c1c(C)cc(C(C)(C)C)cc1C)c1nccc(C)c1O2.
What is the InChIKey of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine?
The InChIKey is AKZOEZWCDMYPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-15-8-9-21-20(12-15)27(24-23(28-21)16(2)10-11-26-24)22-17(3)13-19(14-18(22)4)25(5,6)7/h8-14H,1-7H3.
What are the key properties of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine?
10-(4-tert-butyl-2,6-dimethylphenyl)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine has a molecular weight of 372.51 g/mol, XLogP of 7.19, 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)-4,8-dimethylpyrido[3,2-b][1,4]benzoxazine is sourced from PubChem (CID 59572706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).