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

C25H28N2O — CID 59572638

IUPAC10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)Oc1c(C)cncc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C25H28N2O/c1-15-8-9-20-22(10-15)28-24-18(4)13-26-14-21(24)27(20)23-16(2)11-19(12-17(23)3)25(5,6)7/h8-14H,1-7H3
InChIKeyBWVAWWUYAJFBNW-UHFFFAOYSA-N
MW372.51 g/mol
LogP7.19
Rot. Bonds1

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

10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine (PubChem CID 59572638) 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)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine.

Molecular Properties

Compound Name10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine
PubChem CID59572638
Molecular FormulaC25H28N2O
Molecular Weight372.51 g/mol
Exact Mass372.22
IUPAC Name10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine
SMILESCc1ccc2c(c1)Oc1c(C)cncc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C25H28N2O/c1-15-8-9-20-22(10-15)28-24-18(4)13-26-14-21(24)27(20)23-16(2)11-19(12-17(23)3)25(5,6)7/h8-14H,1-7H3
InChIKeyBWVAWWUYAJFBNW-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

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Related Compounds

4-Methyl-7-pyridin-3-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 25180102
5-ethyl-4-methyl-8-(pyridin-3-ylmethoxy)-6H-phenanthridine
CID 145982704
8-[3-(4-Benzylpiperazin-1-yl)propoxy]quinoline
CID 45269549
1-[3-(4-Tert-butylphenoxy)propyl]-4-pyridin-3-ylpiperazine
CID 145956810
1-(2-Methoxyphenyl)-4-[2-(4-fluorobenzyl)-2-(4-pyridyl)ethyl]piperazine
CID 15016120
1-[(2Z)-2-[(2,6-Dimethylphenyl)imino]-3-methyl-3-(pyridin-2-YL)-3,4-dihydro-2H-1,4-benzoxazin-4-YL]-2,2,2-trifluoroethan-1-one
CID 6621174
1-(2-Methoxyphenyl)-4-[[1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methyl]piperazine
CID 44388887
8-(4-Methyl-3-pyridinyl)-4-phenyl-2,3-dihydro-1,4-benzoxazine
CID 171358782
2-Methoxy-N,N-dimethyl-4-(2-(4-quinolinyl)vinyl)aniline
CID 6078606
4-[(4-Fluorophenyl)methyl]-6-pyridin-4-yl-2,3-dihydro-1,4-benzoxazine
CID 117075137
1-(2-Methoxyphenyl)-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine
CID 22482098
(2Z)-N-(2,6-Dimethylphenyl)-3-methyl-3-(pyridin-2-YL)-3,4-dihydro-2H-1,4-benzoxazin-2-imine
CID 6622677

Frequently Asked Questions

What is the IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine?
The IUPAC name of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine (CID 59572638) is 10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine.
What is the SMILES notation for 10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine?
The canonical SMILES for 10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine is Cc1ccc2c(c1)Oc1c(C)cncc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine?
The InChIKey is BWVAWWUYAJFBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O/c1-15-8-9-20-22(10-15)28-24-18(4)13-26-14-21(24)27(20)23-16(2)11-19(12-17(23)3)25(5,6)7/h8-14H,1-7H3.
What are the key properties of 10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine?
10-(4-tert-butyl-2,6-dimethylphenyl)-4,7-dimethylpyrido[4,3-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)-4,7-dimethylpyrido[4,3-b][1,4]benzoxazine is sourced from PubChem (CID 59572638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).