4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid

C23H17NO3 — CID 168875197

IUPAC4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C23H17NO3/c25-23(26)19-7-5-16(6-8-19)17-10-13-21(14-11-17)27-15-20-12-9-18-3-1-2-4-22(18)24-20/h1-14H,15H2,(H,25,26)
InChIKeyCPDVIMSOIZNIOC-UHFFFAOYSA-N
MW355.39 g/mol
LogP5.18
Rot. Bonds5

About 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid

4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid (PubChem CID 168875197) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
PubChem CID168875197
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1
InChIInChI=1S/C23H17NO3/c25-23(26)19-7-5-16(6-8-19)17-10-13-21(14-11-17)27-15-20-12-9-18-3-1-2-4-22(18)24-20/h1-14H,15H2,(H,25,26)
InChIKeyCPDVIMSOIZNIOC-UHFFFAOYSA-N
XLogP5.18
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.39
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-(quinolin-2-ylmethoxy)phenyl]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

4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-[(4-phenylbenzoyl)amino]-3-[4-(quinolin-2-ylmethoxy)phenyl]propanoic acid
CID 10278753
4-[[4-(quinolin-2-ylmethylsulfinyl)phenoxy]methyl]benzoic acid
CID 14774161
2-methyl-4-(quinolin-2-ylmethoxy)benzoic acid
CID 67896812
4-[[4-(quinolin-2-ylmethoxy)phenyl]methyl]benzoyl chloride
CID 19856159
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
4-methoxy-3-(quinolin-2-ylmethoxy)benzoic acid
CID 5074844
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 2747568
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235

Frequently Asked Questions

What is the IUPAC name of 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid?
The IUPAC name of 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid (CID 168875197) is 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid?
The canonical SMILES for 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid is O=C(O)c1ccc(-c2ccc(OCc3ccc4ccccc4n3)cc2)cc1.
What is the InChIKey of 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid?
The InChIKey is CPDVIMSOIZNIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c25-23(26)19-7-5-16(6-8-19)17-10-13-21(14-11-17)27-15-20-12-9-18-3-1-2-4-22(18)24-20/h1-14H,15H2,(H,25,26).
What are the key properties of 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid?
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid has a molecular weight of 355.39 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid is sourced from PubChem (CID 168875197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).