2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

C20H16N2O3 — CID 59314257

IUPAC2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2cccnc12
InChIInChI=1S/C20H16N2O3/c23-18(16-9-3-7-13-8-4-10-21-17(13)16)22-20(19(24)25)11-14-5-1-2-6-15(14)12-20/h1-10H,11-12H2,(H,22,23)(H,24,25)
InChIKeyWKRUMDBYGBYCOL-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.59
Rot. Bonds3

About 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59314257) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID59314257
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2cccnc12
InChIInChI=1S/C20H16N2O3/c23-18(16-9-3-7-13-8-4-10-21-17(13)16)22-20(19(24)25)11-14-5-1-2-6-15(14)12-20/h1-10H,11-12H2,(H,22,23)(H,24,25)
InChIKeyWKRUMDBYGBYCOL-UHFFFAOYSA-N
XLogP2.59
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 59314257) is 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2cccnc12.
What is the InChIKey of 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is WKRUMDBYGBYCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-18(16-9-3-7-13-8-4-10-21-17(13)16)22-20(19(24)25)11-14-5-1-2-6-15(14)12-20/h1-10H,11-12H2,(H,22,23)(H,24,25).
What are the key properties of 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 332.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(quinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59314257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).