5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid

C23H13NO5 — CID 127254030

IUPAC5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)ccc1O
InChIInChI=1S/C23H13NO5/c25-18-10-9-12(11-17(18)23(28)29)24-20-14-6-2-3-7-15(14)21(26)19(20)13-5-1-4-8-16(13)22(24)27/h1-11,25H,(H,28,29)
InChIKeyUCKBKZBIGSSDJN-UHFFFAOYSA-N
MW383.36 g/mol
LogP3.61
Rot. Bonds2

About 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid

5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid (PubChem CID 127254030) has the molecular formula C23H13NO5 and a molecular weight of 383.36 g/mol. Its IUPAC name is 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid
PubChem CID127254030
Molecular FormulaC23H13NO5
Molecular Weight383.36 g/mol
Exact Mass383.08
IUPAC Name5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)ccc1O
InChIInChI=1S/C23H13NO5/c25-18-10-9-12(11-17(18)23(28)29)24-20-14-6-2-3-7-15(14)21(26)19(20)13-5-1-4-8-16(13)22(24)27/h1-11,25H,(H,28,29)
InChIKeyUCKBKZBIGSSDJN-UHFFFAOYSA-N
XLogP3.61
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluorophenyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 138585218
6-(4-chlorophenyl)indeno[1,2-c]isoquinoline-5,11-dione
CID 138585225
2-[4-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)phenyl]butanoic acid
CID 51057193
6-[2-(3,4-dihydroxyphenyl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127252797
5-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)-2-hydroxybenzoic acid
CID 169326792
3-(2-hydroxyphenyl)-2-(4-methylphenyl)-1-oxoisoquinoline-4-carboxylic acid
CID 15721861
6-[3-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)propyl]indeno[1,2-c]isoquinoline-5,11-dione;ethane
CID 158110774
anthracene-9,10-dione;phthalic acid
CID 158904853
5-(3-butyl-4-hydroxy-2-oxo-1,8-naphthyridin-1-yl)-2-hydroxybenzoic acid
CID 54728926
2-hydroxybenzoic acid;praseodymium
CID 87786006
2,11,20,29,37,39-hexaza-38,40-diazanidanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene;2-hydroxy-5-sulfobenzoic acid;titanium(2+)
CID 154804551
3-hydroxytriphenylene-2-carboxylic acid
CID 18963666

Frequently Asked Questions

What is the IUPAC name of 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid (CID 127254030) is 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid is O=C(O)c1cc(-n2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)ccc1O.
What is the InChIKey of 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid?
The InChIKey is UCKBKZBIGSSDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13NO5/c25-18-10-9-12(11-17(18)23(28)29)24-20-14-6-2-3-7-15(14)21(26)19(20)13-5-1-4-8-16(13)22(24)27/h1-11,25H,(H,28,29).
What are the key properties of 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid?
5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid has a molecular weight of 383.36 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 127254030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).