5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene

C20H24N2O4 — CID 15430397

IUPAC5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene
SMILESc1cc2c3cc1OCCOCCOCCOc1ccc(c(c1)CN2)NC3
InChIInChI=1S/C20H24N2O4/c1-3-19-15-11-17(1)25-9-7-23-5-6-24-8-10-26-18-2-4-20(22-13-15)16(12-18)14-21-19/h1-4,11-12,21-22H,5-10,13-14H2
InChIKeyDLMQQYVOKAZHKD-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.03
Rot. Bonds

About 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene

5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene (PubChem CID 15430397) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene.

Molecular Properties

Compound Name5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene
PubChem CID15430397
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene
SMILESc1cc2c3cc1OCCOCCOCCOc1ccc(c(c1)CN2)NC3
InChIInChI=1S/C20H24N2O4/c1-3-19-15-11-17(1)25-9-7-23-5-6-24-8-10-26-18-2-4-20(22-13-15)16(12-18)14-21-19/h1-4,11-12,21-22H,5-10,13-14H2
InChIKeyDLMQQYVOKAZHKD-UHFFFAOYSA-N
XLogP3.03
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene?
The IUPAC name of 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene (CID 15430397) is 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene.
What is the SMILES notation for 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene?
The canonical SMILES for 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene is c1cc2c3cc1OCCOCCOCCOc1ccc(c(c1)CN2)NC3.
What is the InChIKey of 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene?
The InChIKey is DLMQQYVOKAZHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-3-19-15-11-17(1)25-9-7-23-5-6-24-8-10-26-18-2-4-20(22-13-15)16(12-18)14-21-19/h1-4,11-12,21-22H,5-10,13-14H2.
What are the key properties of 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene?
5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene has a molecular weight of 356.42 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8,11,14-tetraoxa-19,22-diazatetracyclo[13.6.4.14,21.018,24]hexacosa-1(21),2,4(26),15(25),16,18(24)-hexaene is sourced from PubChem (CID 15430397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).