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

C19H11NO5 — CID 101151005

IUPAC5,7,17,19-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
SMILESO=c1[nH]c2c3cc4c(cc3ccc2c2cc3c(cc12)OCO3)OCO4
InChIInChI=1S/C19H11NO5/c21-19-13-6-17-16(24-8-25-17)5-12(13)10-2-1-9-3-14-15(23-7-22-14)4-11(9)18(10)20-19/h1-6H,7-8H2,(H,20,21)
InChIKeyZGNWMOUMGZCFJQ-UHFFFAOYSA-N
MW333.30 g/mol
LogP3.29
Rot. Bonds

About 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

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 (PubChem CID 101151005) has the molecular formula C19H11NO5 and a molecular weight of 333.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5,7,17,19-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
PubChem CID101151005
Molecular FormulaC19H11NO5
Molecular Weight333.30 g/mol
Exact Mass333.06
IUPAC Name5,7,17,19-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
SMILESO=c1[nH]c2c3cc4c(cc3ccc2c2cc3c(cc12)OCO3)OCO4
InChIInChI=1S/C19H11NO5/c21-19-13-6-17-16(24-8-25-17)5-12(13)10-2-1-9-3-14-15(23-7-22-14)4-11(9)18(10)20-19/h1-6H,7-8H2,(H,20,21)
InChIKeyZGNWMOUMGZCFJQ-UHFFFAOYSA-N
XLogP3.29
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.30
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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5,7,17,19-tetraoxa-12-azahexacyclo[11.11.0.02,10.04,8.014,22.016,20]tetracosa-1(13),2,4(8),9,11,14,16(20),21,23-nonaene
CID 14037817
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
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4,5,6-trimethoxy-18,20-dioxa-11-azapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,8,13,15,17(21)-octaene-10,12-dione
CID 77461232
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CID 135193860
carbanide;24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=c1[nH]c2c3cc4c(cc3ccc2c2cc3c(cc12)OCO3)OCO4.
What is the InChIKey of 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?
The InChIKey is ZGNWMOUMGZCFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO5/c21-19-13-6-17-16(24-8-25-17)5-12(13)10-2-1-9-3-14-15(23-7-22-14)4-11(9)18(10)20-19/h1-6H,7-8H2,(H,20,21).
What are the key properties of 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?
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 has a molecular weight of 333.30 g/mol, XLogP of 3.29, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 101151005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).