2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid

C21H15NO3 — CID 5003862

IUPAC2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid
SMILESCOc1ccc2cc(-c3cc(C(=O)O)c4ccccc4n3)ccc2c1
InChIInChI=1S/C21H15NO3/c1-25-16-9-8-13-10-15(7-6-14(13)11-16)20-12-18(21(23)24)17-4-2-3-5-19(17)22-20/h2-12H,1H3,(H,23,24)
InChIKeyGOGMULHCVISZHY-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.76
Rot. Bonds3

About 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid

2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid (PubChem CID 5003862) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid
PubChem CID5003862
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Name2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid
SMILESCOc1ccc2cc(-c3cc(C(=O)O)c4ccccc4n3)ccc2c1
InChIInChI=1S/C21H15NO3/c1-25-16-9-8-13-10-15(7-6-14(13)11-16)20-12-18(21(23)24)17-4-2-3-5-19(17)22-20/h2-12H,1H3,(H,23,24)
InChIKeyGOGMULHCVISZHY-UHFFFAOYSA-N
XLogP4.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid (CID 5003862) is 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid is COc1ccc2cc(-c3cc(C(=O)O)c4ccccc4n3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid?
The InChIKey is GOGMULHCVISZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO3/c1-25-16-9-8-13-10-15(7-6-14(13)11-16)20-12-18(21(23)24)17-4-2-3-5-19(17)22-20/h2-12H,1H3,(H,23,24).
What are the key properties of 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid?
2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylic acid is sourced from PubChem (CID 5003862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).