(11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene

C11H8N4O — CID 164946370

IUPAC(11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene
SMILESC1=N\c2nc3nn2C(C3)Oc2ccccc2/1
InChIInChI=1S/C11H8N4O/c1-2-4-8-7(3-1)6-12-11-13-9-5-10(16-8)15(11)14-9/h1-4,6,10H,5H2/b12-6-
InChIKeyGNSGVSNPPVCANE-SDQBBNPISA-N
MW212.21 g/mol
LogP1.48
Rot. Bonds

About (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene

(11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene (PubChem CID 164946370) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene.

Molecular Properties

Compound Name(11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene
PubChem CID164946370
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name(11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene
SMILESC1=N\c2nc3nn2C(C3)Oc2ccccc2/1
InChIInChI=1S/C11H8N4O/c1-2-4-8-7(3-1)6-12-11-13-9-5-10(16-8)15(11)14-9/h1-4,6,10H,5H2/b12-6-
InChIKeyGNSGVSNPPVCANE-SDQBBNPISA-N
XLogP1.48
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene?
The IUPAC name of (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene (CID 164946370) is (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene.
What is the SMILES notation for (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene?
The canonical SMILES for (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene is C1=N\c2nc3nn2C(C3)Oc2ccccc2/1.
What is the InChIKey of (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene?
The InChIKey is GNSGVSNPPVCANE-SDQBBNPISA-N. The full InChI is InChI=1S/C11H8N4O/c1-2-4-8-7(3-1)6-12-11-13-9-5-10(16-8)15(11)14-9/h1-4,6,10H,5H2/b12-6-.
What are the key properties of (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene?
(11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene has a molecular weight of 212.21 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z)-4-oxa-12,14,15,16-tetrazatetracyclo[11.2.1.03,14.05,10]hexadeca-1(15),5,7,9,11,13(16)-hexaene is sourced from PubChem (CID 164946370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).