3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid

C23H19NO3 — CID 154454380

IUPAC3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
SMILESCOc1ccc2ccccc2c1-c1ccc2cc(CCC(=O)O)ccc2n1
InChIInChI=1S/C23H19NO3/c1-27-21-12-9-16-4-2-3-5-18(16)23(21)20-11-8-17-14-15(7-13-22(25)26)6-10-19(17)24-20/h2-6,8-12,14H,7,13H2,1H3,(H,25,26)
InChIKeyVXPHAWDHMWYMJW-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.08
Rot. Bonds5

About 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid

3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid (PubChem CID 154454380) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
PubChem CID154454380
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
SMILESCOc1ccc2ccccc2c1-c1ccc2cc(CCC(=O)O)ccc2n1
InChIInChI=1S/C23H19NO3/c1-27-21-12-9-16-4-2-3-5-18(16)23(21)20-11-8-17-14-15(7-13-22(25)26)6-10-19(17)24-20/h2-6,8-12,14H,7,13H2,1H3,(H,25,26)
InChIKeyVXPHAWDHMWYMJW-UHFFFAOYSA-N
XLogP5.08
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 ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,6-difluorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
CID 11237587
2-(2-methoxynaphthalen-1-yl)-6-methylquinoline-4-carboxylic acid
CID 7139738
3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
CID 22559255
methyl 3-[5-(2-diphenylphosphanylnaphthalen-1-yl)-6-methoxynaphthalen-2-yl]propanoate
CID 101349305
2-(2-methoxynaphthalen-1-yl)pyridine
CID 71446434
3-[4-(carboxymethoxy)-3-methoxyphenyl]propanoic acid
CID 121016138
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
3-(3-fluoro-4-methoxyphenyl)propanoic acid;propanedioic acid
CID 67624266
(2R)-3-[2-(2,6-dimethoxyphenyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 68592486
3-(3-hydroxy-4-methoxyphenyl)propanoic acid;2-hydroxy-2-methylpropanoic acid
CID 160639510
carbonic acid;2-(3,4-dimethoxyphenyl)quinoline
CID 70367637
3-[2-(4-methoxyphenyl)quinolin-4-yl]propanoic acid;hydrochloride
CID 170330696

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid?
The IUPAC name of 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid (CID 154454380) is 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid is COc1ccc2ccccc2c1-c1ccc2cc(CCC(=O)O)ccc2n1.
What is the InChIKey of 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid?
The InChIKey is VXPHAWDHMWYMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-27-21-12-9-16-4-2-3-5-18(16)23(21)20-11-8-17-14-15(7-13-22(25)26)6-10-19(17)24-20/h2-6,8-12,14H,7,13H2,1H3,(H,25,26).
What are the key properties of 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid?
3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid has a molecular weight of 357.41 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid is sourced from PubChem (CID 154454380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).