2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid

C23H19NO3 — CID 11725870

IUPAC2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C23H19NO3/c1-15(23(25)26)17-6-7-19-13-21(11-9-18(19)12-17)27-14-20-10-8-16-4-2-3-5-22(16)24-20/h2-13,15H,14H2,1H3,(H,25,26)
InChIKeyQWFAMXAVDCZEBZ-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.16
Rot. Bonds5

About 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid

2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid (PubChem CID 11725870) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid.

Molecular Properties

Compound Name2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
PubChem CID11725870
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid
SMILESCC(C(=O)O)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C23H19NO3/c1-15(23(25)26)17-6-7-19-13-21(11-9-18(19)12-17)27-14-20-10-8-16-4-2-3-5-22(16)24-20/h2-13,15H,14H2,1H3,(H,25,26)
InChIKeyQWFAMXAVDCZEBZ-UHFFFAOYSA-N
XLogP5.16
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Veliflapon
CID 123723
alpha-Pentyl-3-(2-quinolinylmethoxy)benzenemethanol
CID 5059
L 674573
CID 124437
4-(2-{[7-(Quinolin-2-ylmethoxy)-naphthalene-2-carbonyl]-amino}-ethyl)-benzoic acid
CID 9891157
A-93178
CID 101018054
2-(4-Ethoxyphenyl)quinoline-4-carboxylic acid
CID 673734
6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
Abt-080
CID 9850972
(2s)-Tert-Butoxy[4-(8-Fluoro-5-Methyl-3,4-Dihydro-2h-Chromen-6-Yl)-2-Methylquinolin-3-Yl]ethanoic Acid
CID 44198672
2,3-Dimethylphenyl 2-(4-methoxyphenyl)-4-quinolinecarboxylate
CID 1739332
S(alpha)-methyl-6-(2-quinolinylmethoxy)-2-naphthaleneacetic acid
CID 129863
2-(4-((8-(3-(Difluoromethoxy)phenyl)quinolin-6-yl)methoxy)phenyl)acetic acid
CID 46933993

Frequently Asked Questions

What is the IUPAC name of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid?
The IUPAC name of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid (CID 11725870) is 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid.
What is the SMILES notation for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid?
The canonical SMILES for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid is CC(C(=O)O)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid?
The InChIKey is QWFAMXAVDCZEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-15(23(25)26)17-6-7-19-13-21(11-9-18(19)12-17)27-14-20-10-8-16-4-2-3-5-22(16)24-20/h2-13,15H,14H2,1H3,(H,25,26).
What are the key properties of 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid?
2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(quinolin-2-ylmethoxy)naphthalen-2-yl]propanoic acid is sourced from PubChem (CID 11725870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).