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

C34H32N4O4 — CID 15784550

IUPAC7,22-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
SMILESCc1cc2cc(c1)C(=O)NCc1ccc(cc1)CNC(=O)c1cc(C)cc(c1)C(=O)NCc1ccc(cc1)CNC2=O
InChIInChI=1S/C34H32N4O4/c1-21-11-27-15-28(12-21)32(40)36-18-24-5-9-26(10-6-24)20-38-34(42)30-14-22(2)13-29(16-30)33(41)37-19-25-7-3-23(4-8-25)17-35-31(27)39/h3-16H,17-20H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)
InChIKeyPEBULEGJEXWNHY-UHFFFAOYSA-N
MW560.65 g/mol
LogP4.34
Rot. Bonds

About 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

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 (PubChem CID 15784550) has the molecular formula C34H32N4O4 and a molecular weight of 560.65 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7,22-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
PubChem CID15784550
Molecular FormulaC34H32N4O4
Molecular Weight560.65 g/mol
Exact Mass560.24
IUPAC Name7,22-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
SMILESCc1cc2cc(c1)C(=O)NCc1ccc(cc1)CNC(=O)c1cc(C)cc(c1)C(=O)NCc1ccc(cc1)CNC2=O
InChIInChI=1S/C34H32N4O4/c1-21-11-27-15-28(12-21)32(40)36-18-24-5-9-26(10-6-24)20-38-34(42)30-14-22(2)13-29(16-30)33(41)37-19-25-7-3-23(4-8-25)17-35-31(27)39/h3-16H,17-20H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42)
InChIKeyPEBULEGJEXWNHY-UHFFFAOYSA-N
XLogP4.34
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.65
LogP ≤ 54.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc2cc(c1)C(=O)NCc1ccc(cc1)CNC(=O)c1cc(C)cc(c1)C(=O)NCc1ccc(cc1)CNC2=O.
What is the InChIKey of 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?
The InChIKey is PEBULEGJEXWNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O4/c1-21-11-27-15-28(12-21)32(40)36-18-24-5-9-26(10-6-24)20-38-34(42)30-14-22(2)13-29(16-30)33(41)37-19-25-7-3-23(4-8-25)17-35-31(27)39/h3-16H,17-20H2,1-2H3,(H,35,39)(H,36,40)(H,37,41)(H,38,42).
What are the key properties of 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?
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 has a molecular weight of 560.65 g/mol, XLogP of 4.34, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 15784550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).