14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione

C20H13N3O3 — CID 10521308

IUPAC14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione
SMILESCc1ccccc1-c1nc2c(c3c1[nH]c1ccc(O)cc13)C(=O)NC2=O
InChIInChI=1S/C20H13N3O3/c1-9-4-2-3-5-11(9)16-17-14(12-8-10(24)6-7-13(12)21-17)15-18(22-16)20(26)23-19(15)25/h2-8,21,24H,1H3,(H,23,25,26)
InChIKeyFKUHLMBHESFSSP-UHFFFAOYSA-N
MW343.34 g/mol
LogP3.28
Rot. Bonds1

About 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione

14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione (PubChem CID 10521308) has the molecular formula C20H13N3O3 and a molecular weight of 343.34 g/mol. Its IUPAC name is 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione.

Molecular Properties

Compound Name14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione
PubChem CID10521308
Molecular FormulaC20H13N3O3
Molecular Weight343.34 g/mol
Exact Mass343.10
IUPAC Name14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione
SMILESCc1ccccc1-c1nc2c(c3c1[nH]c1ccc(O)cc13)C(=O)NC2=O
InChIInChI=1S/C20H13N3O3/c1-9-4-2-3-5-11(9)16-17-14(12-8-10(24)6-7-13(12)21-17)15-18(22-16)20(26)23-19(15)25/h2-8,21,24H,1H3,(H,23,25,26)
InChIKeyFKUHLMBHESFSSP-UHFFFAOYSA-N
XLogP3.28
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione?
The IUPAC name of 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione (CID 10521308) is 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione.
What is the SMILES notation for 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione?
The canonical SMILES for 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione is Cc1ccccc1-c1nc2c(c3c1[nH]c1ccc(O)cc13)C(=O)NC2=O.
What is the InChIKey of 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione?
The InChIKey is FKUHLMBHESFSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13N3O3/c1-9-4-2-3-5-11(9)16-17-14(12-8-10(24)6-7-13(12)21-17)15-18(22-16)20(26)23-19(15)25/h2-8,21,24H,1H3,(H,23,25,26).
What are the key properties of 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione?
14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione has a molecular weight of 343.34 g/mol, XLogP of 3.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-hydroxy-8-(2-methylphenyl)-4,7,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,6,8,11(16),12,14-hexaene-3,5-dione is sourced from PubChem (CID 10521308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).