8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid

C21H19NO2 — CID 50889237

IUPAC8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3ccc4c(c3)CCCC4)nc12
InChIInChI=1S/C21H19NO2/c1-13-5-4-8-17-18(21(23)24)12-19(22-20(13)17)16-10-9-14-6-2-3-7-15(14)11-16/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,24)
InChIKeyFXAHZGYOIARSNY-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.79
Rot. Bonds2

About 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid

8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid (PubChem CID 50889237) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
PubChem CID50889237
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC Name8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid
SMILESCc1cccc2c(C(=O)O)cc(-c3ccc4c(c3)CCCC4)nc12
InChIInChI=1S/C21H19NO2/c1-13-5-4-8-17-18(21(23)24)12-19(22-20(13)17)16-10-9-14-6-2-3-7-15(14)11-16/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,24)
InChIKeyFXAHZGYOIARSNY-UHFFFAOYSA-N
XLogP4.79
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid (CID 50889237) is 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid is Cc1cccc2c(C(=O)O)cc(-c3ccc4c(c3)CCCC4)nc12.
What is the InChIKey of 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid?
The InChIKey is FXAHZGYOIARSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-13-5-4-8-17-18(21(23)24)12-19(22-20(13)17)16-10-9-14-6-2-3-7-15(14)11-16/h4-5,8-12H,2-3,6-7H2,1H3,(H,23,24).
What are the key properties of 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid?
8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 50889237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).