(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene

C21H20N4O — CID 16739809

IUPAC(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene
SMILESC1=C\CNc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1
InChIInChI=1S/C21H20N4O/c1-2-11-22-17-7-5-8-18(15-17)24-21-23-12-10-20(25-21)16-6-4-9-19(14-16)26-13-3-1/h1-2,4-10,12,14-15,22H,3,11,13H2,(H,23,24,25)/b2-1-
InChIKeyUSIDNFXDNPBRBR-UPHRSURJSA-N
MW344.42 g/mol
LogP4.64
Rot. Bonds

About (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene

(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene (PubChem CID 16739809) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene.

Molecular Properties

Compound Name(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene
PubChem CID16739809
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene
SMILESC1=C\CNc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1
InChIInChI=1S/C21H20N4O/c1-2-11-22-17-7-5-8-18(15-17)24-21-23-12-10-20(25-21)16-6-4-9-19(14-16)26-13-3-1/h1-2,4-10,12,14-15,22H,3,11,13H2,(H,23,24,25)/b2-1-
InChIKeyUSIDNFXDNPBRBR-UPHRSURJSA-N
XLogP4.64
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene?
The IUPAC name of (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene (CID 16739809) is (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene.
What is the SMILES notation for (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene?
The canonical SMILES for (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene is C1=C\CNc2cccc(c2)Nc2nccc(n2)-c2cccc(c2)OCC/1.
What is the InChIKey of (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene?
The InChIKey is USIDNFXDNPBRBR-UPHRSURJSA-N. The full InChI is InChI=1S/C21H20N4O/c1-2-11-22-17-7-5-8-18(15-17)24-21-23-12-10-20(25-21)16-6-4-9-19(14-16)26-13-3-1/h1-2,4-10,12,14-15,22H,3,11,13H2,(H,23,24,25)/b2-1-.
What are the key properties of (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene?
(15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene has a molecular weight of 344.42 g/mol, XLogP of 4.64, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (15E)-19-oxa-5,7,13,26-tetrazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8,10,12(25),15,20,22-decaene is sourced from PubChem (CID 16739809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).