5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene

C19H17NO4 — CID 16638286

IUPAC5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene
SMILESc1c2c(cc3c1OCO3)CN1CCc3cc4c(cc3C1C2)OCO4
InChIInChI=1S/C19H17NO4/c1-2-20-8-13-6-18-17(22-9-23-18)5-12(13)3-15(20)14-7-19-16(4-11(1)14)21-10-24-19/h4-7,15H,1-3,8-10H2
InChIKeyDEXCWVBNPJKCOQ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.80
Rot. Bonds

About 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene

5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene (PubChem CID 16638286) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene.

Molecular Properties

Compound Name5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene
PubChem CID16638286
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene
SMILESc1c2c(cc3c1OCO3)CN1CCc3cc4c(cc3C1C2)OCO4
InChIInChI=1S/C19H17NO4/c1-2-20-8-13-6-18-17(22-9-23-18)5-12(13)3-15(20)14-7-19-16(4-11(1)14)21-10-24-19/h4-7,15H,1-3,8-10H2
InChIKeyDEXCWVBNPJKCOQ-UHFFFAOYSA-N
XLogP2.80
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene?
The IUPAC name of 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene (CID 16638286) is 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene.
What is the SMILES notation for 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene?
The canonical SMILES for 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene is c1c2c(cc3c1OCO3)CN1CCc3cc4c(cc3C1C2)OCO4.
What is the InChIKey of 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene?
The InChIKey is DEXCWVBNPJKCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-2-20-8-13-6-18-17(22-9-23-18)5-12(13)3-15(20)14-7-19-16(4-11(1)14)21-10-24-19/h4-7,15H,1-3,8-10H2.
What are the key properties of 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene?
5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene has a molecular weight of 323.35 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7,18,20-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.017,21]tetracosa-2,4(8),9,15,17(21),22-hexaene is sourced from PubChem (CID 16638286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).