2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

C23H26N4O — CID 59572670

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)Oc1cc(C)nnc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H26N4O/c1-13-8-18-21(24-12-13)27(22-19(28-18)11-16(4)25-26-22)20-14(2)9-17(10-15(20)3)23(5,6)7/h8-12H,1-7H3
InChIKeyYAYVMSNRFPPKLS-UHFFFAOYSA-N
MW374.49 g/mol
LogP5.98
Rot. Bonds1

About 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene

2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (PubChem CID 59572670) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
PubChem CID59572670
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene
SMILESCc1cnc2c(c1)Oc1cc(C)nnc1N2c1c(C)cc(C(C)(C)C)cc1C
InChIInChI=1S/C23H26N4O/c1-13-8-18-21(24-12-13)27(22-19(28-18)11-16(4)25-26-22)20-14(2)9-17(10-15(20)3)23(5,6)7/h8-12H,1-7H3
InChIKeyYAYVMSNRFPPKLS-UHFFFAOYSA-N
XLogP5.98
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.49
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene with MolForge

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Related Compounds

6-Methyl-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
CID 127044706
6-[3-(2-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-methylpyridazine-3-carbonitrile
CID 168223505
6-[3-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-4,5-dimethylpyridazine-3-carbonitrile
CID 168223800
7'-fluoro-5'-[5-fluoro-1-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2H-pyrimidin-4-yl]-2'-methylspiro[cyclopentane-1,3'-indole]
CID 175762949
6-(4,5-dimethylpyridazin-3-yl)-3-(4-fluorophenoxy)-7,8-dihydro-5H-1,6-naphthyridine
CID 177749800
3-(2-fluorophenoxy)-6-(4-methylpyridazin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 177749853
3-(2,3-difluorophenoxy)-6-(4-methylpyridazin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 177749855
3-(2,5-difluorophenoxy)-6-(4-methylpyridazin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 177749861
3-(2,4-difluorophenoxy)-6-(4-methylpyridazin-3-yl)-7,8-dihydro-5H-1,6-naphthyridine
CID 177749875
4-Methyl-N-({2-[(6-methylpyridin-3-YL)oxy]pyridin-3-YL}methyl)quinolin-2-amine
CID 56751108
2,6-Pyridinedicarboxaldehyde, 3-(phenylmethoxy)-, bis[methyl(2-pyridyl)hydrazone]
CID 9602121
N,N-dimethyl-2-(6((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)quinolin-3-yloxy)ethanamine
CID 57691121

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene (CID 59572670) is 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is Cc1cnc2c(c1)Oc1cc(C)nnc1N2c1c(C)cc(C(C)(C)C)cc1C.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
The InChIKey is YAYVMSNRFPPKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-13-8-18-21(24-12-13)27(22-19(28-18)11-16(4)25-26-22)20-14(2)9-17(10-15(20)3)23(5,6)7/h8-12H,1-7H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene?
2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene has a molecular weight of 374.49 g/mol, XLogP of 5.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)-6,12-dimethyl-9-oxa-2,4,5,14-tetrazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 59572670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).