5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid

C21H13NO5 — CID 5085353

IUPAC5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)ccc1O
InChIInChI=1S/C21H13NO5/c23-16-8-5-12(9-15(16)21(26)27)22-19(24)13-6-3-10-1-2-11-4-7-14(20(22)25)18(13)17(10)11/h3-9,23H,1-2H2,(H,26,27)
InChIKeyOGQKKNSGHNDNFF-UHFFFAOYSA-N
MW359.34 g/mol
LogP3.14
Rot. Bonds2

About 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid

5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid (PubChem CID 5085353) has the molecular formula C21H13NO5 and a molecular weight of 359.34 g/mol. Its IUPAC name is 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid
PubChem CID5085353
Molecular FormulaC21H13NO5
Molecular Weight359.34 g/mol
Exact Mass359.08
IUPAC Name5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)ccc1O
InChIInChI=1S/C21H13NO5/c23-16-8-5-12(9-15(16)21(26)27)22-19(24)13-6-3-10-1-2-11-4-7-14(20(22)25)18(13)17(10)11/h3-9,23H,1-2H2,(H,26,27)
InChIKeyOGQKKNSGHNDNFF-UHFFFAOYSA-N
XLogP3.14
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid (CID 5085353) is 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid is O=C(O)c1cc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)ccc1O.
What is the InChIKey of 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid?
The InChIKey is OGQKKNSGHNDNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13NO5/c23-16-8-5-12(9-15(16)21(26)27)22-19(24)13-6-3-10-1-2-11-4-7-14(20(22)25)18(13)17(10)11/h3-9,23H,1-2H2,(H,26,27).
What are the key properties of 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid?
5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid has a molecular weight of 359.34 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 5085353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).