11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one

C15H8N2O2 — CID 162926898

IUPAC11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one
SMILESO=C1C(O)=Cc2ccnc3c2c1nc1ccccc13
InChIInChI=1S/C15H8N2O2/c18-11-7-8-5-6-16-13-9-3-1-2-4-10(9)17-14(12(8)13)15(11)19/h1-7,18H
InChIKeyGXVPWMPCJURZGF-UHFFFAOYSA-N
MW248.24 g/mol
LogP2.88
Rot. Bonds

About 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one

11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one (PubChem CID 162926898) has the molecular formula C15H8N2O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one.

Molecular Properties

Compound Name11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one
PubChem CID162926898
Molecular FormulaC15H8N2O2
Molecular Weight248.24 g/mol
Exact Mass248.06
IUPAC Name11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one
SMILESO=C1C(O)=Cc2ccnc3c2c1nc1ccccc13
InChIInChI=1S/C15H8N2O2/c18-11-7-8-5-6-16-13-9-3-1-2-4-10(9)17-14(12(8)13)15(11)19/h1-7,18H
InChIKeyGXVPWMPCJURZGF-UHFFFAOYSA-N
XLogP2.88
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaen-8-one
CID 136734685
3-hydroxy-10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,5,9,11,13(21),14,16,18-decaen-8-one
CID 136734684
methyl 10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaene-15-carboxylate
CID 102432124
10,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 23245300
12-amino-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one
CID 10944751
2,12,17-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one
CID 122207278
3-bromo-6,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2,4,6,9,11,13(21),14,16,18-decaen-8-one
CID 10872144
6-(4-quinolin-8-ylphenyl)phenanthridin-10-ol
CID 146549143
5-methyl-6-thia-9,19-diazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),4,8,10,12(20),13,15,17-nonaen-2-one
CID 102226712
2,10-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaene
CID 158524295
10-(hydroxymethylidene)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-ol
CID 136901458
4-chloro-5-phenylbenzo[c][2,7]naphthyridine
CID 10446974

Frequently Asked Questions

What is the IUPAC name of 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one?
The IUPAC name of 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one (CID 162926898) is 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one.
What is the SMILES notation for 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one?
The canonical SMILES for 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one is O=C1C(O)=Cc2ccnc3c2c1nc1ccccc13.
What is the InChIKey of 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one?
The InChIKey is GXVPWMPCJURZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N2O2/c18-11-7-8-5-6-16-13-9-3-1-2-4-10(9)17-14(12(8)13)15(11)19/h1-7,18H.
What are the key properties of 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one?
11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one has a molecular weight of 248.24 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-10-one is sourced from PubChem (CID 162926898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).