2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid

C26H27N3O5 — CID 69318891

IUPAC2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid
SMILESCOc1cccc(CC(=O)O)c1OCc1cc(OC(C)C)nn1Cc1ccc2ccccc2n1
InChIInChI=1S/C26H27N3O5/c1-17(2)34-24-14-21(16-33-26-19(13-25(30)31)8-6-10-23(26)32-3)29(28-24)15-20-12-11-18-7-4-5-9-22(18)27-20/h4-12,14,17H,13,15-16H2,1-3H3,(H,30,31)
InChIKeyKFZGNTBJZUZOLJ-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.48
Rot. Bonds10

About 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid

2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid (PubChem CID 69318891) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid
PubChem CID69318891
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid
SMILESCOc1cccc(CC(=O)O)c1OCc1cc(OC(C)C)nn1Cc1ccc2ccccc2n1
InChIInChI=1S/C26H27N3O5/c1-17(2)34-24-14-21(16-33-26-19(13-25(30)31)8-6-10-23(26)32-3)29(28-24)15-20-12-11-18-7-4-5-9-22(18)27-20/h4-12,14,17H,13,15-16H2,1-3H3,(H,30,31)
InChIKeyKFZGNTBJZUZOLJ-UHFFFAOYSA-N
XLogP4.48
TPSA95.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid with MolForge

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Related Compounds

2-[2-[[1-propan-2-yl-5-(quinolin-2-ylmethoxy)pyrazol-3-yl]methoxy]phenyl]acetic acid
CID 69315108
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
methyl 2-[2-(2-methylpropyl)-3-(quinolin-2-ylmethoxy)phenyl]acetate
CID 57195280
2-quinolin-2-ylacetic acid;hydrate
CID 141421012
2-[[3-(methoxymethyl)indazol-2-yl]methyl]quinoline
CID 143893671
5-(methoxymethyl)-3-(quinolin-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 75446523
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
2-[2-[2-(2,6-dimethoxypyrimidin-4-yl)ethyl]-6-methoxyphenoxy]acetic acid
CID 166679044
2-methyl-1-phenyl-3-quinolin-2-ylpropan-1-one
CID 104844942
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid (CID 69318891) is 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid is COc1cccc(CC(=O)O)c1OCc1cc(OC(C)C)nn1Cc1ccc2ccccc2n1.
What is the InChIKey of 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid?
The InChIKey is KFZGNTBJZUZOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-17(2)34-24-14-21(16-33-26-19(13-25(30)31)8-6-10-23(26)32-3)29(28-24)15-20-12-11-18-7-4-5-9-22(18)27-20/h4-12,14,17H,13,15-16H2,1-3H3,(H,30,31).
What are the key properties of 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid?
2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid has a molecular weight of 461.52 g/mol, XLogP of 4.48, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-[[3-propan-2-yloxy-1-(quinolin-2-ylmethyl)pyrazol-5-yl]methoxy]phenyl]acetic acid is sourced from PubChem (CID 69318891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).