3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid

C23H25NO4 — CID 58753891

IUPAC3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid
SMILESCc1cc(OCC[C@@H](C)Oc2cccc3cccnc23)ccc1CCC(=O)O
InChIInChI=1S/C23H25NO4/c1-16-15-20(10-8-18(16)9-11-22(25)26)27-14-12-17(2)28-21-7-3-5-19-6-4-13-24-23(19)21/h3-8,10,13,15,17H,9,11-12,14H2,1-2H3,(H,25,26)/t17-/m1/s1
InChIKeyDLEFFQSVXQBOGJ-QGZVFWFLSA-N
MW379.46 g/mol
LogP4.80
Rot. Bonds9

About 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid

3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid (PubChem CID 58753891) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid
PubChem CID58753891
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid
SMILESCc1cc(OCC[C@@H](C)Oc2cccc3cccnc23)ccc1CCC(=O)O
InChIInChI=1S/C23H25NO4/c1-16-15-20(10-8-18(16)9-11-22(25)26)27-14-12-17(2)28-21-7-3-5-19-6-4-13-24-23(19)21/h3-8,10,13,15,17H,9,11-12,14H2,1-2H3,(H,25,26)/t17-/m1/s1
InChIKeyDLEFFQSVXQBOGJ-QGZVFWFLSA-N
XLogP4.80
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3R)-3-(3-benzoylnaphthalen-2-yl)oxybutoxy]-2-methylphenyl]propanoic acid
CID 58753628
3-[4-[(3R)-3-(2-benzoyl-4,5-dichlorophenoxy)butoxy]-2-methylphenyl]propanoic acid
CID 58753703
3-[2-methyl-4-[(3R)-3-(2-phenoxy-4-propan-2-ylphenoxy)butoxy]phenyl]propanoic acid
CID 11784494
3-[4-[3-[2-benzoyl-4-(trifluoromethoxy)phenoxy]butoxy]-2-methylphenyl]propanoic acid
CID 58753678
3-[4-[3-[2-(1-benzothiophene-2-carbonyl)-4-ethylphenoxy]butoxy]-2-methylphenyl]propanoic acid
CID 58753835
3-[4-[(3R)-3-[4-ethyl-2-(N-methoxy-C-phenylcarbonimidoyl)phenoxy]butoxy]-2-methylphenyl]propanoic acid
CID 87922701
3-[4-[(2R)-4-(4-ethyl-2-phenoxyphenoxy)butan-2-yl]oxy-2-methylphenyl]propanoic acid
CID 58753729
3-[4-[3-(4-chloro-2-phenoxyphenoxy)butoxy]-2-fluorophenyl]propanoic acid
CID 69424382
8-[(2R)-1-methoxypropan-2-yl]oxyquinoline
CID 141434542
3-[2-methyl-4-[2-[5-methyl-2-(3-pyridin-2-ylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 58626647
8-[(2S)-butan-2-yl]oxyquinoline
CID 99646584
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid?
The IUPAC name of 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid (CID 58753891) is 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid is Cc1cc(OCC[C@@H](C)Oc2cccc3cccnc23)ccc1CCC(=O)O.
What is the InChIKey of 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid?
The InChIKey is DLEFFQSVXQBOGJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25NO4/c1-16-15-20(10-8-18(16)9-11-22(25)26)27-14-12-17(2)28-21-7-3-5-19-6-4-13-24-23(19)21/h3-8,10,13,15,17H,9,11-12,14H2,1-2H3,(H,25,26)/t17-/m1/s1.
What are the key properties of 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid?
3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid has a molecular weight of 379.46 g/mol, XLogP of 4.80, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-[(3R)-3-quinolin-8-yloxybutoxy]phenyl]propanoic acid is sourced from PubChem (CID 58753891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).