2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

C20H20N2O3 — CID 59314138

IUPAC2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2c1NCCC2
InChIInChI=1S/C20H20N2O3/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/h1-3,5-7,9,21H,4,8,10-12H2,(H,22,23)(H,24,25)
InChIKeyQLOVAYNRILXNAM-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.40
Rot. Bonds3

About 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 59314138) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID59314138
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2c1NCCC2
InChIInChI=1S/C20H20N2O3/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/h1-3,5-7,9,21H,4,8,10-12H2,(H,22,23)(H,24,25)
InChIKeyQLOVAYNRILXNAM-UHFFFAOYSA-N
XLogP2.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 59314138) is 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cccc2c1NCCC2.
What is the InChIKey of 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is QLOVAYNRILXNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/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/h1-3,5-7,9,21H,4,8,10-12H2,(H,22,23)(H,24,25).
What are the key properties of 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 2.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4-tetrahydroquinoline-8-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 59314138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).