methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate

C20H14N2O3 — CID 22256571

IUPACmethyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate
SMILESCOC(=O)C(=O)c1cn(-c2cnc3ccccc3c2)c2ccccc12
InChIInChI=1S/C20H14N2O3/c1-25-20(24)19(23)16-12-22(18-9-5-3-7-15(16)18)14-10-13-6-2-4-8-17(13)21-11-14/h2-12H,1H3
InChIKeyQTQZZPJZXDBOIG-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.53
Rot. Bonds3

About methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate

methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate (PubChem CID 22256571) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate
PubChem CID22256571
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Namemethyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate
SMILESCOC(=O)C(=O)c1cn(-c2cnc3ccccc3c2)c2ccccc12
InChIInChI=1S/C20H14N2O3/c1-25-20(24)19(23)16-12-22(18-9-5-3-7-15(16)18)14-10-13-6-2-4-8-17(13)21-11-14/h2-12H,1H3
InChIKeyQTQZZPJZXDBOIG-UHFFFAOYSA-N
XLogP3.53
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate?
The IUPAC name of methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate (CID 22256571) is methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate.
What is the SMILES notation for methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate?
The canonical SMILES for methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate is COC(=O)C(=O)c1cn(-c2cnc3ccccc3c2)c2ccccc12.
What is the InChIKey of methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate?
The InChIKey is QTQZZPJZXDBOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c1-25-20(24)19(23)16-12-22(18-9-5-3-7-15(16)18)14-10-13-6-2-4-8-17(13)21-11-14/h2-12H,1H3.
What are the key properties of methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate?
methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate has a molecular weight of 330.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-oxo-2-(1-quinolin-3-ylindol-3-yl)acetate is sourced from PubChem (CID 22256571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).