2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid

C18H14N2O2 — CID 50806091

IUPAC2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCc3ccccc32)nc2ccccc12
InChIInChI=1S/C18H14N2O2/c21-18(22)14-11-17(19-15-7-3-2-6-13(14)15)20-10-9-12-5-1-4-8-16(12)20/h1-8,11H,9-10H2,(H,21,22)
InChIKeyJRERRNOOJOIJEW-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.63
Rot. Bonds2

About 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid

2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid (PubChem CID 50806091) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid
PubChem CID50806091
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid
SMILESO=C(O)c1cc(N2CCc3ccccc32)nc2ccccc12
InChIInChI=1S/C18H14N2O2/c21-18(22)14-11-17(19-15-7-3-2-6-13(14)15)20-10-9-12-5-1-4-8-16(12)20/h1-8,11H,9-10H2,(H,21,22)
InChIKeyJRERRNOOJOIJEW-UHFFFAOYSA-N
XLogP3.63
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindol-1-yl)-2-phenylquinoline
CID 91742521
N-benzyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109368416
6-(2,3-dihydroindol-1-yl)-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 112847953
[6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 112852970
6-(2,3-dihydroindol-1-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 109373418
2-(4-hydroxy-4-methylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 81108049
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 6915560
N-benzyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline-4-carboxamide
CID 117090539
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
6-(2,3-dihydroindol-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360664
N-tert-butyl-6-(2,3-dihydroindol-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854327
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid (CID 50806091) is 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid is O=C(O)c1cc(N2CCc3ccccc32)nc2ccccc12.
What is the InChIKey of 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid?
The InChIKey is JRERRNOOJOIJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-18(22)14-11-17(19-15-7-3-2-6-13(14)15)20-10-9-12-5-1-4-8-16(12)20/h1-8,11H,9-10H2,(H,21,22).
What are the key properties of 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid?
2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindol-1-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 50806091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).