2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid

C21H17FN2O2 — CID 66652240

IUPAC2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(-c1ccc3cccc(F)c3n1)c(C)n2CC(=O)O
InChIInChI=1S/C21H17FN2O2/c1-12-6-9-18-15(10-12)20(13(2)24(18)11-19(25)26)17-8-7-14-4-3-5-16(22)21(14)23-17/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyOXVDLARHMVIPRH-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.70
Rot. Bonds3

About 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid

2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid (PubChem CID 66652240) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid
PubChem CID66652240
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid
SMILESCc1ccc2c(c1)c(-c1ccc3cccc(F)c3n1)c(C)n2CC(=O)O
InChIInChI=1S/C21H17FN2O2/c1-12-6-9-18-15(10-12)20(13(2)24(18)11-19(25)26)17-8-7-14-4-3-5-16(22)21(14)23-17/h3-10H,11H2,1-2H3,(H,25,26)
InChIKeyOXVDLARHMVIPRH-UHFFFAOYSA-N
XLogP4.70
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-fluoro-1,3-benzothiazol-2-yl)-2-methylindol-1-yl]acetic acid
CID 54160910
2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid
CID 10065219
azane;1-fluoro-7-methylnaphthalene
CID 174703926
2-[2-methyl-5-phenyl-3-(4,5,7-trifluoro-1,3-benzothiazol-2-yl)indol-1-yl]acetic acid
CID 54004746
2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid
CID 67150911
2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
CID 10473681
2-[6-fluoro-2-methyl-3-(5-methyl-1-benzothiophen-3-yl)indol-1-yl]acetic acid
CID 145445834
2-[6-methyl-4-oxo-2-[2-(2,3,4-trifluorophenyl)ethyl]quinazolin-1-yl]acetic acid
CID 58733230
2-[5-fluoro-2-methyl-3-[3-(1-quinolin-2-ylethenylamino)phenyl]indol-1-yl]acetic acid
CID 130433690
2-[5-chloro-2-methyl-3-(4-oxo-3H-phthalazin-1-yl)indol-1-yl]acetic acid
CID 67151302
2-[3-(4-chlorophenyl)sulfonyl-2,5-dimethylindol-1-yl]acetic acid
CID 10407275
1-(carboxymethyl)-3-(4-chlorophenyl)-2-methylindole-5-carboxylic acid
CID 174484175

Frequently Asked Questions

What is the IUPAC name of 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid (CID 66652240) is 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid is Cc1ccc2c(c1)c(-c1ccc3cccc(F)c3n1)c(C)n2CC(=O)O.
What is the InChIKey of 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid?
The InChIKey is OXVDLARHMVIPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-12-6-9-18-15(10-12)20(13(2)24(18)11-19(25)26)17-8-7-14-4-3-5-16(22)21(14)23-17/h3-10H,11H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid?
2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid has a molecular weight of 348.38 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid is sourced from PubChem (CID 66652240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).