2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid

C22H20N2O3 — CID 10473681

IUPAC2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
SMILESCOc1ccc2nccc(-c3c(C)n(CC(=O)O)c4ccc(C)cc34)c2c1
InChIInChI=1S/C22H20N2O3/c1-13-4-7-20-18(10-13)22(14(2)24(20)12-21(25)26)16-8-9-23-19-6-5-15(27-3)11-17(16)19/h4-11H,12H2,1-3H3,(H,25,26)
InChIKeyLVUHPSMXFCXPEB-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.57
Rot. Bonds4

About 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid

2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid (PubChem CID 10473681) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
PubChem CID10473681
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid
SMILESCOc1ccc2nccc(-c3c(C)n(CC(=O)O)c4ccc(C)cc34)c2c1
InChIInChI=1S/C22H20N2O3/c1-13-4-7-20-18(10-13)22(14(2)24(20)12-21(25)26)16-8-9-23-19-6-5-15(27-3)11-17(16)19/h4-11H,12H2,1-3H3,(H,25,26)
InChIKeyLVUHPSMXFCXPEB-UHFFFAOYSA-N
XLogP4.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-3-quinolin-4-ylindol-1-yl)acetic acid
CID 10065219
2-[5-methoxy-2-methyl-3-(6-oxo-1H-pyridazin-3-yl)indol-1-yl]acetic acid
CID 67150911
2-(6-methoxy-1-methyl-2,4-dioxoquinazolin-3-yl)acetic acid
CID 117262736
2-[3-(7-chloroquinolin-4-yl)-2,5-dimethyl-6-methylsulfonylindol-1-yl]acetic acid
CID 66651797
2-[5-chloro-3-(7-chloroquinolin-4-yl)-2-(methylsulfonylmethyl)indol-1-yl]acetic acid
CID 66651945
4-(2,6-difluoro-4-methoxyphenyl)quinoline-6-carboxylic acid
CID 67961895
azane;6-methoxyquinoline-4-carboxylic acid
CID 67151937
2-[3-(8-fluoroquinolin-2-yl)-2,5-dimethylindol-1-yl]acetic acid
CID 66652240
sodium;hydride;6-methoxyquinoline-4-carboxylic acid
CID 173088597
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
5-(6-methoxyquinolin-4-yl)-2-methylphenol
CID 70854482
6-(6-methoxyquinolin-4-yl)oxyhexanoic acid
CID 10827290

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid?
The IUPAC name of 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid (CID 10473681) is 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid is COc1ccc2nccc(-c3c(C)n(CC(=O)O)c4ccc(C)cc34)c2c1.
What is the InChIKey of 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid?
The InChIKey is LVUHPSMXFCXPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-13-4-7-20-18(10-13)22(14(2)24(20)12-21(25)26)16-8-9-23-19-6-5-15(27-3)11-17(16)19/h4-11H,12H2,1-3H3,(H,25,26).
What are the key properties of 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid?
2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid has a molecular weight of 360.41 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methoxyquinolin-4-yl)-2,5-dimethylindol-1-yl]acetic acid is sourced from PubChem (CID 10473681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).