6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid

C18H12N2O2 — CID 160801949

IUPAC6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(-c3ccc4c(c3)C=NC4)cc12
InChIInChI=1S/C18H12N2O2/c21-18(22)15-5-6-20-17-4-3-12(8-16(15)17)11-1-2-13-9-19-10-14(13)7-11/h1-8,10H,9H2,(H,21,22)
InChIKeyIBISSZMDKITOSM-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.53
Rot. Bonds2

About 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid

6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid (PubChem CID 160801949) has the molecular formula C18H12N2O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid
PubChem CID160801949
Molecular FormulaC18H12N2O2
Molecular Weight288.31 g/mol
Exact Mass288.09
IUPAC Name6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1ccnc2ccc(-c3ccc4c(c3)C=NC4)cc12
InChIInChI=1S/C18H12N2O2/c21-18(22)15-5-6-20-17-4-3-12(8-16(15)17)11-1-2-13-9-19-10-14(13)7-11/h1-8,10H,9H2,(H,21,22)
InChIKeyIBISSZMDKITOSM-UHFFFAOYSA-N
XLogP3.53
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid?
The IUPAC name of 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid (CID 160801949) is 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid is O=C(O)c1ccnc2ccc(-c3ccc4c(c3)C=NC4)cc12.
What is the InChIKey of 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid?
The InChIKey is IBISSZMDKITOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2/c21-18(22)15-5-6-20-17-4-3-12(8-16(15)17)11-1-2-13-9-19-10-14(13)7-11/h1-8,10H,9H2,(H,21,22).
What are the key properties of 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid?
6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-isoindol-5-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 160801949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).