2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid

C19H14N2O4 — CID 163543971

IUPAC2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid
SMILESO=COCC1(CC(=O)O)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C19H14N2O4/c22-11-25-10-19(9-16(23)24)13-6-2-1-5-12(13)17-18(19)21-15-8-4-3-7-14(15)20-17/h1-8,11H,9-10H2,(H,23,24)
InChIKeyKMIBDIPZHUFAGO-UHFFFAOYSA-N
MW334.33 g/mol
LogP2.54
Rot. Bonds5

About 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid

2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid (PubChem CID 163543971) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid.

Molecular Properties

Compound Name2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid
PubChem CID163543971
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid
SMILESO=COCC1(CC(=O)O)c2ccccc2-c2nc3ccccc3nc21
InChIInChI=1S/C19H14N2O4/c22-11-25-10-19(9-16(23)24)13-6-2-1-5-12(13)17-18(19)21-15-8-4-3-7-14(15)20-17/h1-8,11H,9-10H2,(H,23,24)
InChIKeyKMIBDIPZHUFAGO-UHFFFAOYSA-N
XLogP2.54
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid?
The IUPAC name of 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid (CID 163543971) is 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid.
What is the SMILES notation for 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid?
The canonical SMILES for 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid is O=COCC1(CC(=O)O)c2ccccc2-c2nc3ccccc3nc21.
What is the InChIKey of 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid?
The InChIKey is KMIBDIPZHUFAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c22-11-25-10-19(9-16(23)24)13-6-2-1-5-12(13)17-18(19)21-15-8-4-3-7-14(15)20-17/h1-8,11H,9-10H2,(H,23,24).
What are the key properties of 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid?
2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid has a molecular weight of 334.33 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[11-(formyloxymethyl)indeno[1,2-b]quinoxalin-11-yl]acetic acid is sourced from PubChem (CID 163543971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).