2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene

C16H12N2O2 — CID 70850186

IUPAC2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene
SMILESC1=CN2c3ccccc3OC3Oc4ccccc4N1C32
InChIInChI=1S/C16H12N2O2/c1-3-7-13-11(5-1)17-9-10-18-12-6-2-4-8-14(12)20-16(19-13)15(17)18/h1-10,15-16H
InChIKeyNBLRJQNSUAJGFP-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.92
Rot. Bonds

About 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene

2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene (PubChem CID 70850186) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene.

Molecular Properties

Compound Name2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene
PubChem CID70850186
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene
SMILESC1=CN2c3ccccc3OC3Oc4ccccc4N1C32
InChIInChI=1S/C16H12N2O2/c1-3-7-13-11(5-1)17-9-10-18-12-6-2-4-8-14(12)20-16(19-13)15(17)18/h1-10,15-16H
InChIKeyNBLRJQNSUAJGFP-UHFFFAOYSA-N
XLogP2.92
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene?
The IUPAC name of 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene (CID 70850186) is 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene.
What is the SMILES notation for 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene?
The canonical SMILES for 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene is C1=CN2c3ccccc3OC3Oc4ccccc4N1C32.
What is the InChIKey of 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene?
The InChIKey is NBLRJQNSUAJGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-3-7-13-11(5-1)17-9-10-18-12-6-2-4-8-14(12)20-16(19-13)15(17)18/h1-10,15-16H.
What are the key properties of 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene?
2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene has a molecular weight of 264.28 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,19-dioxa-9,12-diazapentacyclo[10.7.1.03,8.09,20.013,18]icosa-3,5,7,10,13,15,17-heptaene is sourced from PubChem (CID 70850186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).