2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid

C22H20N2O2 — CID 10337564

IUPAC2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(-c1ccnc3c(C)cccc13)c(C)n2CC(=O)O
InChIInChI=1S/C22H20N2O2/c1-13-7-8-19-18(11-13)21(15(3)24(19)12-20(25)26)16-9-10-23-22-14(2)5-4-6-17(16)22/h4-11H,12H2,1-3H3,(H,25,26)
InChIKeyPYCNZTVHCBCNPY-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.87
Rot. Bonds3

About 2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid

2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid (PubChem CID 10337564) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid
PubChem CID10337564
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(-c1ccnc3c(C)cccc13)c(C)n2CC(=O)O
InChIInChI=1S/C22H20N2O2/c1-13-7-8-19-18(11-13)21(15(3)24(19)12-20(25)26)16-9-10-23-22-14(2)5-4-6-17(16)22/h4-11H,12H2,1-3H3,(H,25,26)
InChIKeyPYCNZTVHCBCNPY-UHFFFAOYSA-N
XLogP4.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.87
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-(8-methylquinolin-4-yl)indol-1-yl]acetic acid?
The IUPAC name of 2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid (CID 10337564) is 2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid.
What is the SMILES notation for 2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid?
The canonical SMILES for 2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid is Cc1ccc2c(c1)c(-c1ccnc3c(C)cccc13)c(C)n2CC(=O)O.
What is the InChIKey of 2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid?
The InChIKey is PYCNZTVHCBCNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-13-7-8-19-18(11-13)21(15(3)24(19)12-20(25)26)16-9-10-23-22-14(2)5-4-6-17(16)22/h4-11H,12H2,1-3H3,(H,25,26).
What are the key properties of 2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid?
2-[2,5-dimethyl-3-(8-methylquinolin-4-yl)indol-1-yl]acetic acid has a molecular weight of 344.41 g/mol, XLogP of 4.87, 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-(8-methylquinolin-4-yl)indol-1-yl]acetic acid is sourced from PubChem (CID 10337564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).