2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid

C21H17ClN2O2 — CID 11405875

IUPAC2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(-c1ccnc3cc(Cl)ccc13)c(C)n2CC(=O)O
InChIInChI=1S/C21H17ClN2O2/c1-12-3-6-19-17(9-12)21(13(2)24(19)11-20(25)26)16-7-8-23-18-10-14(22)4-5-15(16)18/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyHDRZLWOQFMULDF-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.21
Rot. Bonds3

About 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid

2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid (PubChem CID 11405875) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
PubChem CID11405875
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(-c1ccnc3cc(Cl)ccc13)c(C)n2CC(=O)O
InChIInChI=1S/C21H17ClN2O2/c1-12-3-6-19-17(9-12)21(13(2)24(19)11-20(25)26)16-7-8-23-18-10-14(22)4-5-15(16)18/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyHDRZLWOQFMULDF-UHFFFAOYSA-N
XLogP5.21
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid (CID 11405875) is 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid is Cc1ccc2c(c1)c(-c1ccnc3cc(Cl)ccc13)c(C)n2CC(=O)O.
What is the InChIKey of 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid?
The InChIKey is HDRZLWOQFMULDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-12-3-6-19-17(9-12)21(13(2)24(19)11-20(25)26)16-7-8-23-18-10-14(22)4-5-15(16)18/h3-10H,11H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid?
2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid has a molecular weight of 364.83 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(7-chloroquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid is sourced from PubChem (CID 11405875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).