2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone

C30H24N4O4 — CID 100920807

IUPAC2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone
SMILESO=C1NCc2ccc(cc2)NC(=O)c2cccc(c2)C(=O)Nc2ccc(cc2)CNC(=O)c2cccc1c2
InChIInChI=1S/C30H24N4O4/c35-27-21-3-1-4-22(15-21)28(36)32-18-20-9-13-26(14-10-20)34-30(38)24-6-2-5-23(16-24)29(37)33-25-11-7-19(8-12-25)17-31-27/h1-16H,17-18H2,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyJUMQRFDXVIKDQC-UHFFFAOYSA-N
MW504.55 g/mol
LogP4.36
Rot. Bonds

About 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone

2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone (PubChem CID 100920807) has the molecular formula C30H24N4O4 and a molecular weight of 504.55 g/mol. Its IUPAC name is 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone.

Molecular Properties

Compound Name2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone
PubChem CID100920807
Molecular FormulaC30H24N4O4
Molecular Weight504.55 g/mol
Exact Mass504.18
IUPAC Name2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone
SMILESO=C1NCc2ccc(cc2)NC(=O)c2cccc(c2)C(=O)Nc2ccc(cc2)CNC(=O)c2cccc1c2
InChIInChI=1S/C30H24N4O4/c35-27-21-3-1-4-22(15-21)28(36)32-18-20-9-13-26(14-10-20)34-30(38)24-6-2-5-23(16-24)29(37)33-25-11-7-19(8-12-25)17-31-27/h1-16H,17-18H2,(H,31,35)(H,32,36)(H,33,37)(H,34,38)
InChIKeyJUMQRFDXVIKDQC-UHFFFAOYSA-N
XLogP4.36
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.55
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone with MolForge

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Related Compounds

3,11,18,26-tetrazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,20,22,24(33),28(32),29-nonaene-4,10,19,25-tetrone
CID 58272061
3,11-dioxa-18,26-diazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-19,25-dione
CID 132513783
3-azabicyclo[3.3.1]nona-1(9),5,7-triene-2,4-dione
CID 18926764
7,22-dimethyl-3,11,18,26-tetrazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrone
CID 15784550
26,29,34,37-tetraoxa-1,8,16,23-tetrazapentacyclo[21.8.8.23,6.218,21.110,14]tetratetraconta-3(44),4,6(43),10(42),11,13,18,20,40-nonaene-9,15-dione
CID 10952316
3,7,11,18,26,33-hexazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrone
CID 160779213
7-phenylmethoxy-3,11,17,28-tetrazatetracyclo[27.2.2.213,16.15,9]hexatriaconta-1(32),5(36),6,8,13,15,29(33),30,34-nonaene-4,10,18,27-tetrone
CID 102596054
6,7,21,22-tetrathia-3,10,18,25-tetrazatricyclo[25.3.1.112,16]dotriaconta-1(31),12(32),13,15,27,29-hexaene-2,11,17,26-tetrone
CID 101208249
dimethyl 4,10,19,25-tetraoxo-3,11,18,26-tetrazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-7,22-dicarboxylate
CID 122216604
3,15-diazatricyclo[15.2.2.15,9]docosa-1(20),5,7,9(22),17(21),18-hexaene-4,14-dione;3,15,22-triazatricyclo[15.2.2.15,9]docosa-1(20),5,7,9(22),17(21),18-hexaene-4,14-dione
CID 160838422
3,11,22,30,45-pentazanonacyclo[30.6.6.613,20.15,9.124,28.014,19.033,38.039,44.046,51]dopentaconta-1(38),5(52),6,8,13(51),14,16,18,20(46),24,26,28(45),32,34,36,39,41,43,47,49-icosaene-4,10,23,29-tetrone
CID 89016813
7,22-bis(prop-2-enoxy)-3,11,18,26-tetrazapentacyclo[26.2.2.213,16.15,9.120,24]hexatriaconta-1(31),5(36),6,8,13,15,20,22,24(33),28(32),29,34-dodecaene-4,10,19,25-tetrone
CID 11982615

Frequently Asked Questions

What is the IUPAC name of 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone?
The IUPAC name of 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone (CID 100920807) is 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone.
What is the SMILES notation for 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone?
The canonical SMILES for 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone is O=C1NCc2ccc(cc2)NC(=O)c2cccc(c2)C(=O)Nc2ccc(cc2)CNC(=O)c2cccc1c2.
What is the InChIKey of 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone?
The InChIKey is JUMQRFDXVIKDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N4O4/c35-27-21-3-1-4-22(15-21)28(36)32-18-20-9-13-26(14-10-20)34-30(38)24-6-2-5-23(16-24)29(37)33-25-11-7-19(8-12-25)17-31-27/h1-16H,17-18H2,(H,31,35)(H,32,36)(H,33,37)(H,34,38).
What are the key properties of 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone?
2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone has a molecular weight of 504.55 g/mol, XLogP of 4.36, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,16,24-tetrazapentacyclo[24.2.2.211,14.14,8.118,22]tetratriaconta-1(29),4(34),5,7,11,13,18,20,22(31),26(30),27,32-dodecaene-3,9,17,23-tetrone is sourced from PubChem (CID 100920807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).