14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

C14H8N2O2 — CID 6455362

IUPAC14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
SMILESO=c1ccc2nccc3c4cccc(O)c4n1c23
InChIInChI=1S/C14H8N2O2/c17-11-3-1-2-8-9-6-7-15-10-4-5-12(18)16(13(9)10)14(8)11/h1-7,17H
InChIKeyWBFKHEDOTNJGJF-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.14
Rot. Bonds

About 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one (PubChem CID 6455362) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one.

Molecular Properties

Compound Name14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
PubChem CID6455362
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
SMILESO=c1ccc2nccc3c4cccc(O)c4n1c23
InChIInChI=1S/C14H8N2O2/c17-11-3-1-2-8-9-6-7-15-10-4-5-12(18)16(13(9)10)14(8)11/h1-7,17H
InChIKeyWBFKHEDOTNJGJF-UHFFFAOYSA-N
XLogP2.14
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one?
The IUPAC name of 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one (CID 6455362) is 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one.
What is the SMILES notation for 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one?
The canonical SMILES for 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one is O=c1ccc2nccc3c4cccc(O)c4n1c23.
What is the InChIKey of 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one?
The InChIKey is WBFKHEDOTNJGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c17-11-3-1-2-8-9-6-7-15-10-4-5-12(18)16(13(9)10)14(8)11/h1-7,17H.
What are the key properties of 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one?
14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one has a molecular weight of 236.23 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one is sourced from PubChem (CID 6455362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).