6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane

C48H40N8O11 — CID 160755122

IUPAC6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane
SMILESC1CCOC1.CN1CC(=O)c2ccc3c4c(ccc(c24)C(=O)C1n1ccnc1)C(=O)N(CCCn1ccnc1)C3=O.Cn1ccnc1.O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O
InChIInChI=1S/C26H22N6O4.C14H4O6.C4H6N2.C4H8O/c1-29-13-20(33)16-3-5-18-22-19(26(36)32(25(18)35)10-2-9-30-11-7-27-14-30)6-4-17(21(16)22)23(34)24(29)31-12-8-28-15-31;15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11;1-6-3-2-5-4-6;1-2-4-5-3-1/h3-8,11-12,14-15,24H,2,9-10,13H2,1H3;1-4H;2-4H,1H3;1-4H2
InChIKeyRXIDEVPAQYOWOR-UHFFFAOYSA-N
MW904.89 g/mol
LogP5.11
Rot. Bonds5

About 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane

6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane (PubChem CID 160755122) has the molecular formula C48H40N8O11 and a molecular weight of 904.89 g/mol. Its IUPAC name is 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane.

Molecular Properties

Compound Name6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane
PubChem CID160755122
Molecular FormulaC48H40N8O11
Molecular Weight904.89 g/mol
Exact Mass904.28
IUPAC Name6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane
SMILESC1CCOC1.CN1CC(=O)c2ccc3c4c(ccc(c24)C(=O)C1n1ccnc1)C(=O)N(CCCn1ccnc1)C3=O.Cn1ccnc1.O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O
InChIInChI=1S/C26H22N6O4.C14H4O6.C4H6N2.C4H8O/c1-29-13-20(33)16-3-5-18-22-19(26(36)32(25(18)35)10-2-9-30-11-7-27-14-30)6-4-17(21(16)22)23(34)24(29)31-12-8-28-15-31;15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11;1-6-3-2-5-4-6;1-2-4-5-3-1/h3-8,11-12,14-15,24H,2,9-10,13H2,1H3;1-4H;2-4H,1H3;1-4H2
InChIKeyRXIDEVPAQYOWOR-UHFFFAOYSA-N
XLogP5.11
TPSA224.19 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds5
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500904.89
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane with MolForge

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Related Compounds

Benzyl 4-[4-[[3-(3-imidazol-1-ylpropyl)-5-methyl-5-naphthalen-1-yl-2,4-dioxoimidazolidin-1-yl]methyl]benzoyl]piperazine-1-carboxylate
CID 18738695
13-(3-Imidazol-1-ylpropyl)-6-oxa-13-azatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 59327840
6,13-Bis(3-imidazol-1-ylpropyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;3-imidazol-1-ylpropan-1-amine;oxolane
CID 158057278
Bis(6,13-bis(3-imidazol-1-ylpropyl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone);6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;3-imidazol-1-ylpropan-1-amine
CID 161231924
6-Imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;7-methyl-6-(3-methylimidazol-3-ium-1-yl)-15-[3-(3-methylimidazol-3-ium-1-yl)propyl]-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone
CID 162048197

Frequently Asked Questions

What is the IUPAC name of 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane?
The IUPAC name of 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane (CID 160755122) is 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane.
What is the SMILES notation for 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane?
The canonical SMILES for 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane is C1CCOC1.CN1CC(=O)c2ccc3c4c(ccc(c24)C(=O)C1n1ccnc1)C(=O)N(CCCn1ccnc1)C3=O.Cn1ccnc1.O=C1OC(=O)c2ccc3c4c(ccc1c24)C(=O)OC3=O.
What is the InChIKey of 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane?
The InChIKey is RXIDEVPAQYOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O4.C14H4O6.C4H6N2.C4H8O/c1-29-13-20(33)16-3-5-18-22-19(26(36)32(25(18)35)10-2-9-30-11-7-27-14-30)6-4-17(21(16)22)23(34)24(29)31-12-8-28-15-31;15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11;1-6-3-2-5-4-6;1-2-4-5-3-1/h3-8,11-12,14-15,24H,2,9-10,13H2,1H3;1-4H;2-4H,1H3;1-4H2.
What are the key properties of 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane?
6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane has a molecular weight of 904.89 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone;6-imidazol-1-yl-15-(3-imidazol-1-ylpropyl)-7-methyl-7,15-diazatetracyclo[8.6.2.04,18.013,17]octadeca-1,3,10(18),11,13(17)-pentaene-5,9,14,16-tetrone;1-methylimidazole;oxolane is sourced from PubChem (CID 160755122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).