2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene

C22H20N8 — CID 44550876

IUPAC2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene
SMILESCN1c2cccc(n2)Nc2cccc(n2)N(C)c2cccc(n2)Nc2cccc1n2
InChIInChI=1S/C22H20N8/c1-29-19-11-3-7-15(25-19)23-17-9-5-13-21(27-17)30(2)22-14-6-10-18(28-22)24-16-8-4-12-20(29)26-16/h3-14H,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKeyTUQFUMKIWGCHGP-UHFFFAOYSA-N
MW396.46 g/mol
LogP4.60
Rot. Bonds

About 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene

2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene (PubChem CID 44550876) has the molecular formula C22H20N8 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene.

Molecular Properties

Compound Name2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene
PubChem CID44550876
Molecular FormulaC22H20N8
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene
SMILESCN1c2cccc(n2)Nc2cccc(n2)N(C)c2cccc(n2)Nc2cccc1n2
InChIInChI=1S/C22H20N8/c1-29-19-11-3-7-15(25-19)23-17-9-5-13-21(27-17)30(2)22-14-6-10-18(28-22)24-16-8-4-12-20(29)26-16/h3-14H,1-2H3,(H,23,25,27)(H,24,26,28)
InChIKeyTUQFUMKIWGCHGP-UHFFFAOYSA-N
XLogP4.60
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene with MolForge

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Related Compounds

2,8,14,20,26,32-Hexamethyl-2,8,14,20,26,32,37,38,39,40,41,42-dodecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene
CID 11490612
N2,N4,N6-Tri(pyridin-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 85951515
2,8,14,20,25,26,27,28-Octaazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene,2,8,14,20-tetramethyl-
CID 101181742
2,8,14,20,26,32,38,44-Octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene
CID 102152804
2,8,14,20,26,32,38-Heptamethyl-2,8,14,20,26,32,38,43,44,45,46,47,48,49-tetradecazaoctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(43),3(49),4,6,9(48),10,12,15(47),16,18,21(46),22,24,27,29,31(45),33,35,37(44),39,41-henicosaene
CID 102575710
2,8,14,20,26,32,38,44,50-Nonamethyl-2,8,14,20,26,32,38,44,50,55,56,57,58,59,60,61,62,63-octadecazadecacyclo[49.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43.145,49]trihexaconta-1(55),3(63),4,6,9(62),10,12,15(61),16,18,21(60),22,24,27(59),28,30,33,35,37(58),39,41,43(57),45,47,49(56),51,53-heptacosaene
CID 102575711
Dipyridylamine
CID 139053634
2,8,14,20,26-Pentamethyl-2,8,14,20,26,31,32,33,34,35-decazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene
CID 23631126
2,8,14-Trimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3(28),4,6,9,11,13(27),15,17,19(26),21(25),22-dodecaene
CID 44550757
7,13,25,31-Tetramethyl-1,7,13,19,25,31,42,43,44,45,46,47,48-tridecazanonacyclo[17.17.5.12,6.18,12.114,18.120,24.126,30.132,36.137,41]octatetraconta-2,4,6(48),8(47),9,11,14(46),15,17,20,22,24(45),26,28,30(44),32(43),33,35,37(42),38,40-henicosaene
CID 71508142
2,8,14,20,26,32-Hexamethyl-2,4,6,8,14,16,18,20,26,28,30,32,37,39,41-pentadecazaheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaene
CID 101959939
H2mpeptea
CID 102150046

Frequently Asked Questions

What is the IUPAC name of 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene?
The IUPAC name of 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene (CID 44550876) is 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene.
What is the SMILES notation for 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene?
The canonical SMILES for 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene is CN1c2cccc(n2)Nc2cccc(n2)N(C)c2cccc(n2)Nc2cccc1n2.
What is the InChIKey of 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene?
The InChIKey is TUQFUMKIWGCHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8/c1-29-19-11-3-7-15(25-19)23-17-9-5-13-21(27-17)30(2)22-14-6-10-18(28-22)24-16-8-4-12-20(29)26-16/h3-14H,1-2H3,(H,23,25,27)(H,24,26,28).
What are the key properties of 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene?
2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene has a molecular weight of 396.46 g/mol, XLogP of 4.60, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-dimethyl-2,8,14,20,25,26,27,28-octazapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene is sourced from PubChem (CID 44550876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).