methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate

C19H13NO4 — CID 10591700

IUPACmethyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate
SMILESCOC(=O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H13NO4/c1-24-15(21)10-20-17-12-7-3-4-8-13(12)18(22)16(17)11-6-2-5-9-14(11)19(20)23/h2-9H,10H2,1H3
InChIKeyYZLBGCGHCZWAON-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.39
Rot. Bonds2

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

methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate (PubChem CID 10591700) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate
PubChem CID10591700
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Namemethyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate
SMILESCOC(=O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
InChIInChI=1S/C19H13NO4/c1-24-15(21)10-20-17-12-7-3-4-8-13(12)18(22)16(17)11-6-2-5-9-14(11)19(20)23/h2-9H,10H2,1H3
InChIKeyYZLBGCGHCZWAON-UHFFFAOYSA-N
XLogP2.39
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate?
The IUPAC name of methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate (CID 10591700) is methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate.
What is the SMILES notation for methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate?
The canonical SMILES for methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate is COC(=O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2.
What is the InChIKey of methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate?
The InChIKey is YZLBGCGHCZWAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c1-24-15(21)10-20-17-12-7-3-4-8-13(12)18(22)16(17)11-6-2-5-9-14(11)19(20)23/h2-9H,10H2,1H3.
What are the key properties of methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate?
methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate has a molecular weight of 319.32 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)acetate is sourced from PubChem (CID 10591700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).