2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid

C26H24N2O5 — CID 91405019

IUPAC2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid
SMILESCOc1cc2nccc(Oc3ccc(C)nc3C(C)(C(=O)O)c3ccccc3)c2cc1OC
InChIInChI=1S/C26H24N2O5/c1-16-10-11-21(24(28-16)26(2,25(29)30)17-8-6-5-7-9-17)33-20-12-13-27-19-15-23(32-4)22(31-3)14-18(19)20/h5-15H,1-4H3,(H,29,30)
InChIKeyCUXUCUMVRUWVGI-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.14
Rot. Bonds7

About 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid

2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid (PubChem CID 91405019) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid
PubChem CID91405019
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Name2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid
SMILESCOc1cc2nccc(Oc3ccc(C)nc3C(C)(C(=O)O)c3ccccc3)c2cc1OC
InChIInChI=1S/C26H24N2O5/c1-16-10-11-21(24(28-16)26(2,25(29)30)17-8-6-5-7-9-17)33-20-12-13-27-19-15-23(32-4)22(31-3)14-18(19)20/h5-15H,1-4H3,(H,29,30)
InChIKeyCUXUCUMVRUWVGI-UHFFFAOYSA-N
XLogP5.14
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(6,7-dimethoxyquinolin-4-yl)oxy-4,5-dimethylphenyl]-phenylmethanone
CID 23156626
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methoxybenzoic acid
CID 23078521
methane;4,6,7-trimethoxyquinoline
CID 157066291
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
N-[6-(6,7-dimethoxyquinolin-4-yl)oxy-7-methoxynaphthalen-1-yl]benzamide
CID 11294587
2-[4-(6,7-dimethoxyquinolin-4-yl)oxypyrimidin-2-yl]acetic acid
CID 68956641
2-(6,7-dimethoxyquinolin-4-yl)oxy-5-methylaniline
CID 23078587
methyl 2-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxybenzoate
CID 175032455
6-(6,7-dimethoxyquinolin-4-yl)oxyquinoline-3-carboxylic acid
CID 59813662
3-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-1,6-naphthyridine
CID 23078530
1-[2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxyphenyl]ethanone
CID 24879272

Frequently Asked Questions

What is the IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid?
The IUPAC name of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid (CID 91405019) is 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid.
What is the SMILES notation for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid?
The canonical SMILES for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid is COc1cc2nccc(Oc3ccc(C)nc3C(C)(C(=O)O)c3ccccc3)c2cc1OC.
What is the InChIKey of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid?
The InChIKey is CUXUCUMVRUWVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-16-10-11-21(24(28-16)26(2,25(29)30)17-8-6-5-7-9-17)33-20-12-13-27-19-15-23(32-4)22(31-3)14-18(19)20/h5-15H,1-4H3,(H,29,30).
What are the key properties of 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid?
2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid has a molecular weight of 444.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6,7-dimethoxyquinolin-4-yl)oxy-6-methyl-2-pyridinyl]-2-phenylpropanoic acid is sourced from PubChem (CID 91405019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).