5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene

C22H26N6O2 — CID 170618487

IUPAC5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene
SMILESCc1nn(C)c2c1CC(C)c1[nH]nc3ccc(cc13)-c1cnn(C)c1COCCO2
InChIInChI=1S/C22H26N6O2/c1-13-9-16-14(2)26-28(4)22(16)30-8-7-29-12-20-18(11-23-27(20)3)15-5-6-19-17(10-15)21(13)25-24-19/h5-6,10-11,13H,7-9,12H2,1-4H3,(H,24,25)
InChIKeyBVVCXJVDHNXWNT-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.26
Rot. Bonds

About 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene

5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene (PubChem CID 170618487) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene.

Molecular Properties

Compound Name5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene
PubChem CID170618487
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene
SMILESCc1nn(C)c2c1CC(C)c1[nH]nc3ccc(cc13)-c1cnn(C)c1COCCO2
InChIInChI=1S/C22H26N6O2/c1-13-9-16-14(2)26-28(4)22(16)30-8-7-29-12-20-18(11-23-27(20)3)15-5-6-19-17(10-15)21(13)25-24-19/h5-6,10-11,13H,7-9,12H2,1-4H3,(H,24,25)
InChIKeyBVVCXJVDHNXWNT-UHFFFAOYSA-N
XLogP3.26
TPSA82.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene with MolForge

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Related Compounds

5,13,15,18-tetramethyl-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene
CID 170449691
(12E)-5,15-dimethyl-13-prop-1-en-2-yl-8,11-dioxa-4,5,17,18-tetrazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,12,16(23),18,20-heptaen-12-amine
CID 170617775
(17E)-5,15-dimethyl-7,10,13-trioxa-4,5,20,21-tetrazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaene
CID 178184969
2-[[(12E)-13-(1-aminoethyl)-8-ethyl-5,15-dimethyl-11-oxa-4,5,8,17,18-pentazatetracyclo[14.5.2.02,6.019,23]tricosa-1(22),2(6),3,12,16(23),18,20-heptaen-12-yl]amino]ethanol
CID 170618229
(19E)-5,11,17-trimethyl-15-(2-pyrrolidin-1-ylethyl)-7,10,13-trioxa-4,5,15,16,22,23-hexazapentacyclo[19.5.2.02,6.014,18.024,28]octacosa-1(27),2(6),3,14(18),16,19,21(28),23,25-nonaene
CID 170447099
(17E)-15-(methoxymethyl)-5,13-dimethyl-7,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,17,19(26),21,23-nonaene
CID 170618291
(8S,17E)-5,8,15-trimethyl-7,10,14-trioxa-4,5,13,20,21-pentazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19(26),21,23-nonaene
CID 170618112
8-(3-methyl-2H-indazol-5-yl)-3,4-dihydro-1H-pyrano[4,3-c]pyridin-4-amine
CID 130422361
4-(5,8,15-trimethyl-11-oxa-4,5,8,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19(26),21,23-nonaen-14-yl)pyrrolidin-3-ol
CID 175965878
(8S,17E)-5,8,10,15-tetramethyl-14-(2-morpholin-4-ylethyl)-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19(26),21,23-nonaene
CID 170617669
(18E)-5-methyl-N-propan-2-yl-8,11-dioxa-4,5,13,21,22,25-hexazapentacyclo[18.5.2.02,6.012,17.023,27]heptacosa-1(25),2(6),3,12(17),13,15,18,20,23,26-decaene-15-carboxamide
CID 178184920
(17E)-5,8,10,15-tetramethyl-14-(2-pyrrolidin-1-ylethyl)-7-oxa-4,5,10,13,14,20,21-heptazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12,15,17,19(26),21,23-nonaene
CID 170617864

Frequently Asked Questions

What is the IUPAC name of 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene?
The IUPAC name of 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene (CID 170618487) is 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene.
What is the SMILES notation for 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene?
The canonical SMILES for 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene is Cc1nn(C)c2c1CC(C)c1[nH]nc3ccc(cc13)-c1cnn(C)c1COCCO2.
What is the InChIKey of 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene?
The InChIKey is BVVCXJVDHNXWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-13-9-16-14(2)26-28(4)22(16)30-8-7-29-12-20-18(11-23-27(20)3)15-5-6-19-17(10-15)21(13)25-24-19/h5-6,10-11,13H,7-9,12H2,1-4H3,(H,24,25).
What are the key properties of 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene?
5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene has a molecular weight of 406.49 g/mol, XLogP of 3.26, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13,15,18-tetramethyl-8,11-dioxa-4,5,13,14,20,21-hexazapentacyclo[17.5.2.02,6.012,16.022,26]hexacosa-1(25),2(6),3,12(16),14,19(26),21,23-octaene is sourced from PubChem (CID 170618487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).