6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione

C20H13N3O4 — CID 135740312

IUPAC6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione
SMILESO=c1oc2c(c(O)c1/N=N/c1ccccc1)c(=O)n1c3c(cccc23)CC1
InChIInChI=1S/C20H13N3O4/c24-17-14-18(13-8-4-5-11-9-10-23(16(11)13)19(14)25)27-20(26)15(17)22-21-12-6-2-1-3-7-12/h1-8,24H,9-10H2/b22-21+
InChIKeyDEPQEMPQLAPUDJ-QURGRASLSA-N
MW359.34 g/mol
LogP3.79
Rot. Bonds2

About 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione

6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione (PubChem CID 135740312) has the molecular formula C20H13N3O4 and a molecular weight of 359.34 g/mol. Its IUPAC name is 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione.

Molecular Properties

Compound Name6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione
PubChem CID135740312
Molecular FormulaC20H13N3O4
Molecular Weight359.34 g/mol
Exact Mass359.09
IUPAC Name6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione
SMILESO=c1oc2c(c(O)c1/N=N/c1ccccc1)c(=O)n1c3c(cccc23)CC1
InChIInChI=1S/C20H13N3O4/c24-17-14-18(13-8-4-5-11-9-10-23(16(11)13)19(14)25)27-20(26)15(17)22-21-12-6-2-1-3-7-12/h1-8,24H,9-10H2/b22-21+
InChIKeyDEPQEMPQLAPUDJ-QURGRASLSA-N
XLogP3.79
TPSA97.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione with MolForge

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Related Compounds

ethyl 6-hydroxy-4-oxo-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinoline-5-carboxylate
CID 54686487
7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo[3,2,1-ij]quinolin-8-yl 4-fluorobenzoate
CID 2816532
6-benzyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54696637
7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo[3,2,1-ij]quinolin-8-yl benzoate
CID 2816529
4-hydroxy-6-phenyl-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54681623
6-Hydroxy-3-oxa-9-azatetracyclo[7.7.1.0^{2,7}.0^{13,17}]heptadeca-1(17),2(7),5,13,15-pentaene-4,8-dione
CID 54682192
4-hydroxy-6-isopropyl-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54687582
6-cyclohexyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54687594
6-butyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54694076
6-ethyl-4-hydroxy-2H-pyrano[3,2-c]quinoline-2,5(6H)-dione
CID 54687668
6-Heptyl-9-hexyl-4-hydroxypyrano[3,2-c]quinoline-2,5-dione
CID 168270597
4-Hydroxy-6-nonylpyrano[3,2-c]quinoline-2,5-dione
CID 168270659

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione?
The IUPAC name of 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione (CID 135740312) is 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione.
What is the SMILES notation for 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione?
The canonical SMILES for 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione is O=c1oc2c(c(O)c1/N=N/c1ccccc1)c(=O)n1c3c(cccc23)CC1.
What is the InChIKey of 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione?
The InChIKey is DEPQEMPQLAPUDJ-QURGRASLSA-N. The full InChI is InChI=1S/C20H13N3O4/c24-17-14-18(13-8-4-5-11-9-10-23(16(11)13)19(14)25)27-20(26)15(17)22-21-12-6-2-1-3-7-12/h1-8,24H,9-10H2/b22-21+.
What are the key properties of 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione?
6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione has a molecular weight of 359.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-phenyldiazenyl-3-oxa-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(15),2(7),5,12(16),13-pentaene-4,8-dione is sourced from PubChem (CID 135740312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).