3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid

C22H19NO4 — CID 1248929

IUPAC3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)O)c2ccccc2-c2nc3ccccc3cc21
InChIInChI=1S/C22H19NO4/c24-19(25)9-11-22(12-10-20(26)27)16-7-3-2-6-15(16)21-17(22)13-14-5-1-4-8-18(14)23-21/h1-8,13H,9-12H2,(H,24,25)(H,26,27)
InChIKeyRNGWITXLYBYESP-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.23
Rot. Bonds6

About 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid

3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid (PubChem CID 1248929) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid.

Molecular Properties

Compound Name3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid
PubChem CID1248929
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid
SMILESO=C(O)CCC1(CCC(=O)O)c2ccccc2-c2nc3ccccc3cc21
InChIInChI=1S/C22H19NO4/c24-19(25)9-11-22(12-10-20(26)27)16-7-3-2-6-15(16)21-17(22)13-14-5-1-4-8-18(14)23-21/h1-8,13H,9-12H2,(H,24,25)(H,26,27)
InChIKeyRNGWITXLYBYESP-UHFFFAOYSA-N
XLogP4.23
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid?
The IUPAC name of 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid (CID 1248929) is 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid.
What is the SMILES notation for 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid?
The canonical SMILES for 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid is O=C(O)CCC1(CCC(=O)O)c2ccccc2-c2nc3ccccc3cc21.
What is the InChIKey of 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid?
The InChIKey is RNGWITXLYBYESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-19(25)9-11-22(12-10-20(26)27)16-7-3-2-6-15(16)21-17(22)13-14-5-1-4-8-18(14)23-21/h1-8,13H,9-12H2,(H,24,25)(H,26,27).
What are the key properties of 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid?
3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid has a molecular weight of 361.40 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[11-(2-carboxyethyl)indeno[1,2-b]quinolin-11-yl]propanoic acid is sourced from PubChem (CID 1248929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).