(4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene

C19H17N5O2 — CID 173008593

IUPAC(4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene
SMILESC1=C/C=C\C=C/C=N\N=N\N=N/OOc2ccccc2/C=C/C=C/C=C1
InChIInChI=1S/C19H17N5O2/c1-2-4-6-8-10-14-18-15-11-12-16-19(18)25-26-24-23-22-21-20-17-13-9-7-5-3-1/h1-17H/b3-1?,4-2?,7-5-,8-6+,13-9-,14-10+,20-17-,22-21+,24-23-
InChIKeyVFUBARFMAXXSGH-BLHMUOHLSA-N
MW347.38 g/mol
LogP5.53
Rot. Bonds

About (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene

(4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene (PubChem CID 173008593) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene.

Molecular Properties

Compound Name(4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene
PubChem CID173008593
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name(4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene
SMILESC1=C/C=C\C=C/C=N\N=N\N=N/OOc2ccccc2/C=C/C=C/C=C1
InChIInChI=1S/C19H17N5O2/c1-2-4-6-8-10-14-18-15-11-12-16-19(18)25-26-24-23-22-21-20-17-13-9-7-5-3-1/h1-17H/b3-1?,4-2?,7-5-,8-6+,13-9-,14-10+,20-17-,22-21+,24-23-
InChIKeyVFUBARFMAXXSGH-BLHMUOHLSA-N
XLogP5.53
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.38
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene with MolForge

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Related Compounds

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CID 173008582
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CID 87672269
2,3-dioxa-4,5,6-triazabicyclo[15.4.0]henicosa-1(21),5,7,9,11,13,15,17,19-nonaene-8-carbonitrile
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CID 19012256
azane;1-benzazocine
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CID 172720419
(2Z,4Z,6Z,8Z,10Z,12Z,14Z,16Z,18Z)-1-oxa-2,3,4-triazacycloicosa-2,4,6,8,10,12,14,16,18-nonaen-20-one
CID 145475763
(3Z,5Z,9Z,11Z,17Z)-2-oxa-7,13,15-triazabicyclo[17.4.0]tricosa-1(23),3,5,7,9,11,13,15,17,19,21-undecaene
CID 145289016
1,2-benzoxazepine;but-2-enedioic acid
CID 70619135
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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene?
The IUPAC name of (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene (CID 173008593) is (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene.
What is the SMILES notation for (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene?
The canonical SMILES for (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene is C1=C/C=C\C=C/C=N\N=N\N=N/OOc2ccccc2/C=C/C=C/C=C1.
What is the InChIKey of (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene?
The InChIKey is VFUBARFMAXXSGH-BLHMUOHLSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-2-4-6-8-10-14-18-15-11-12-16-19(18)25-26-24-23-22-21-20-17-13-9-7-5-3-1/h1-17H/b3-1?,4-2?,7-5-,8-6+,13-9-,14-10+,20-17-,22-21+,24-23-.
What are the key properties of (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene?
(4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene has a molecular weight of 347.38 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z,8Z,10Z,12Z,18E,20Z)-2,3-dioxa-4,5,6,7,8-pentazabicyclo[20.4.0]hexacosa-1(26),4,6,8,10,12,14,16,18,20,22,24-dodecaene is sourced from PubChem (CID 173008593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).