4-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 155859114

IUPAC4-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
SMILESO=c1cc(O)c2nccc3c4ccccc4n1c23
InChIInChI=1S/C14H8N2O2/c17-11-7-12(18)16-10-4-2-1-3-8(10)9-5-6-15-13(11)14(9)16/h1-7,17H
InChIKeyITUDNKAMEIUZFU-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.14
Rot. Bonds

About 4-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

4-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 155859114) has the molecular formula C14H8N2O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-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 Name4-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
PubChem CID155859114
Molecular FormulaC14H8N2O2
Molecular Weight236.23 g/mol
Exact Mass236.06
IUPAC Name4-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
SMILESO=c1cc(O)c2nccc3c4ccccc4n1c23
InChIInChI=1S/C14H8N2O2/c17-11-7-12(18)16-10-4-2-1-3-8(10)9-5-6-15-13(11)14(9)16/h1-7,17H
InChIKeyITUDNKAMEIUZFU-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 4-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 4-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one (CID 155859114) is 4-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 4-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 4-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=c1cc(O)c2nccc3c4ccccc4n1c23.
What is the InChIKey of 4-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 ITUDNKAMEIUZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O2/c17-11-7-12(18)16-10-4-2-1-3-8(10)9-5-6-15-13(11)14(9)16/h1-7,17H.
What are the key properties of 4-hydroxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one?
4-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 4-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 155859114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).