3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid

C27H25NO5 — CID 141030054

IUPAC3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
SMILESCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc(C)c(C(=O)O)c1O
InChIInChI=1S/C27H25NO5/c1-3-22-24(13-17(2)25(26(22)29)27(30)31)33-15-18-7-6-9-21(14-18)32-16-20-12-11-19-8-4-5-10-23(19)28-20/h4-14,29H,3,15-16H2,1-2H3,(H,30,31)
InChIKeySYHOPCVGUATNEO-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.67
Rot. Bonds8

About 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid

3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid (PubChem CID 141030054) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
PubChem CID141030054
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid
SMILESCCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc(C)c(C(=O)O)c1O
InChIInChI=1S/C27H25NO5/c1-3-22-24(13-17(2)25(26(22)29)27(30)31)33-15-18-7-6-9-21(14-18)32-16-20-12-11-19-8-4-5-10-23(19)28-20/h4-14,29H,3,15-16H2,1-2H3,(H,30,31)
InChIKeySYHOPCVGUATNEO-UHFFFAOYSA-N
XLogP5.67
TPSA88.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Fluoro-2-[2-Methyl-4-Phenoxy-5-(Propan-2-Yl)phenyl]quinoline-4-Carboxylic Acid
CID 71816353
6,7,10-Trimethoxy-2-quinolin-2-ylbenzo[h]chromen-4-one
CID 141533890
2-(3,4-Dihydroxy-5-methoxystyryl)-8-hydroxyquinoline-7-carboxylic acid
CID 5275788
S(alpha)-methyl-6-(2-quinolinylmethoxy)-2-naphthaleneacetic acid
CID 129863
Methyl 2-(3,3-dimethyl-1-phenylbutyl)-4-(quinolin-2-ylmethoxy)benzoate
CID 70696345
2-(2,4-Diethoxyphenyl)quinoline-4-carboxylic acid
CID 753136
2-(6-Methoxynaphthalen-2-yl)quinoline-4-carboxylic acid
CID 5003862
4-(2-((7-(Quinolin-2-ylmethoxy)naphthalen-2-yl)methoxy)ethyl)benzoic acid
CID 9804436
4-[3-[7-(2-Quinolinylmethoxy)-2-naphthyloxy]propyl]benzoic acid
CID 9847235
3-{2-Methyl-4-oxo-7-[3-(quinolin-2-ylmethoxy)-benzyloxy]-chroman-2-yl}-propionic acid
CID 9935613
3-(3-(2-Quinolinylmethyloxy)phenoxymethyl)benzoic acid
CID 9952064
4-[3-(Quinolin-2-ylmethoxy)-phenoxymethyl]-benzoic acid
CID 10156907

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid?
The IUPAC name of 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid (CID 141030054) is 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid.
What is the SMILES notation for 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid?
The canonical SMILES for 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid is CCc1c(OCc2cccc(OCc3ccc4ccccc4n3)c2)cc(C)c(C(=O)O)c1O.
What is the InChIKey of 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid?
The InChIKey is SYHOPCVGUATNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-3-22-24(13-17(2)25(26(22)29)27(30)31)33-15-18-7-6-9-21(14-18)32-16-20-12-11-19-8-4-5-10-23(19)28-20/h4-14,29H,3,15-16H2,1-2H3,(H,30,31).
What are the key properties of 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid?
3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid has a molecular weight of 443.50 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-hydroxy-6-methyl-4-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]benzoic acid is sourced from PubChem (CID 141030054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).