5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone

C17H7N3O6 — CID 11494023

IUPAC5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone
SMILESO=c1[nH]c(=O)c2c1c1[nH]c3cc4c(cc3c1c1c(=O)[nH]c(=O)c21)OCO4
InChIInChI=1S/C17H7N3O6/c21-14-9-8-4-1-6-7(26-3-25-6)2-5(4)18-13(8)12-11(10(9)15(22)19-14)16(23)20-17(12)24/h1-2,18H,3H2,(H,19,21,22)(H,20,23,24)
InChIKeyLQNUPSCQTNQHMA-UHFFFAOYSA-N
MW349.26 g/mol
LogP0.33
Rot. Bonds

About 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone

5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone (PubChem CID 11494023) has the molecular formula C17H7N3O6 and a molecular weight of 349.26 g/mol. Its IUPAC name is 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone.

Molecular Properties

Compound Name5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone
PubChem CID11494023
Molecular FormulaC17H7N3O6
Molecular Weight349.26 g/mol
Exact Mass349.03
IUPAC Name5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone
SMILESO=c1[nH]c(=O)c2c1c1[nH]c3cc4c(cc3c1c1c(=O)[nH]c(=O)c21)OCO4
InChIInChI=1S/C17H7N3O6/c21-14-9-8-4-1-6-7(26-3-25-6)2-5(4)18-13(8)12-11(10(9)15(22)19-14)16(23)20-17(12)24/h1-2,18H,3H2,(H,19,21,22)(H,20,23,24)
InChIKeyLQNUPSCQTNQHMA-UHFFFAOYSA-N
XLogP0.33
TPSA134.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone with MolForge

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Related Compounds

8-methyl-6-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carbonitrile
CID 84625391
8-hydroxy-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 54726414
4,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,6,11,13,15,17-hexaene-3,5,8,10-tetrone
CID 10086414
8-amino-5H-[1,3]dioxolo[4,5-g]quinazolin-6-one
CID 25152156
8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-6-carboxylic acid
CID 63376945
7-amino-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-8-one
CID 53367116
6-methyl-7-propan-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 62914777
5,7-dioxa-11-azapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(12),2,4(8),9,14,16,18-heptaene-13,20-dione
CID 10541575
5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,14,16(20),21,23-octaen-11-one
CID 101151005
ethyl 19-[(3-acetyl-5-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methyl]-13,15-dimethyl-5,7-dioxa-11,17-diazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2,4(8),9,13,15,18-heptaene-16-carboxylate
CID 10257156
8-oxo-6-phenyl-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid
CID 22480986
8-(3-fluorophenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 71770295

Frequently Asked Questions

What is the IUPAC name of 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone?
The IUPAC name of 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone (CID 11494023) is 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone.
What is the SMILES notation for 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone?
The canonical SMILES for 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone is O=c1[nH]c(=O)c2c1c1[nH]c3cc4c(cc3c1c1c(=O)[nH]c(=O)c21)OCO4.
What is the InChIKey of 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone?
The InChIKey is LQNUPSCQTNQHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H7N3O6/c21-14-9-8-4-1-6-7(26-3-25-6)2-5(4)18-13(8)12-11(10(9)15(22)19-14)16(23)20-17(12)24/h1-2,18H,3H2,(H,19,21,22)(H,20,23,24).
What are the key properties of 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone?
5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone has a molecular weight of 349.26 g/mol, XLogP of 0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dioxa-11,15,20-triazahexacyclo[10.10.0.02,10.04,8.013,17.018,22]docosa-1(22),2,4(8),9,12,17-hexaene-14,16,19,21-tetrone is sourced from PubChem (CID 11494023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).