2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid

C21H18N2O2 — CID 10065219

IUPAC2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid
SMILESCc1ccc2c(c1)c(-c1ccnc3ccccc13)c(C)n2CC(=O)O
InChIInChI=1S/C21H18N2O2/c1-13-7-8-19-17(11-13)21(14(2)23(19)12-20(24)25)16-9-10-22-18-6-4-3-5-15(16)18/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyLMGMINBSBGUQCT-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.56
Rot. Bonds3

About 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid

2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid (PubChem CID 10065219) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid
PubChem CID10065219
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid
SMILESCc1ccc2c(c1)c(-c1ccnc3ccccc13)c(C)n2CC(=O)O
InChIInChI=1S/C21H18N2O2/c1-13-7-8-19-17(11-13)21(14(2)23(19)12-20(24)25)16-9-10-22-18-6-4-3-5-15(16)18/h3-11H,12H2,1-2H3,(H,24,25)
InChIKeyLMGMINBSBGUQCT-UHFFFAOYSA-N
XLogP4.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid?
The IUPAC name of 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid (CID 10065219) is 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid.
What is the SMILES notation for 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid?
The canonical SMILES for 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid is Cc1ccc2c(c1)c(-c1ccnc3ccccc13)c(C)n2CC(=O)O.
What is the InChIKey of 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid?
The InChIKey is LMGMINBSBGUQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-13-7-8-19-17(11-13)21(14(2)23(19)12-20(24)25)16-9-10-22-18-6-4-3-5-15(16)18/h3-11H,12H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid?
2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid has a molecular weight of 330.39 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid is sourced from PubChem (CID 10065219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).