2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid

C26H23NO3 — CID 11741515

IUPAC2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid
SMILESCCCc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C26H23NO3/c1-2-7-20-16-25(23-10-5-6-11-24(23)27-20)30-17-18-12-14-19(15-13-18)21-8-3-4-9-22(21)26(28)29/h3-6,8-16H,2,7,17H2,1H3,(H,28,29)
InChIKeyNOBNOIVDXOQHJK-UHFFFAOYSA-N
MW397.47 g/mol
LogP6.13
Rot. Bonds7

About 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid

2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid (PubChem CID 11741515) has the molecular formula C26H23NO3 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid
PubChem CID11741515
Molecular FormulaC26H23NO3
Molecular Weight397.47 g/mol
Exact Mass397.17
IUPAC Name2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid
SMILESCCCc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C26H23NO3/c1-2-7-20-16-25(23-10-5-6-11-24(23)27-20)30-17-18-12-14-19(15-13-18)21-8-3-4-9-22(21)26(28)29/h3-6,8-16H,2,7,17H2,1H3,(H,28,29)
InChIKeyNOBNOIVDXOQHJK-UHFFFAOYSA-N
XLogP6.13
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.47
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(2-propylquinolin-4-yl)oxymethyl]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-[(4-bromophenyl)methoxy]-2-ethylquinoline
CID 22574733
(4-phenylmethoxyquinolin-2-yl)methanamine
CID 63377220
4-phenyl-2-propylquinoline
CID 145370518
2-[4-[[4-[9-[4-[[4-(2-carboxyphenyl)phenyl]methoxy]-3-naphthalen-1-ylphenyl]fluoren-9-yl]-2-naphthalen-1-ylphenoxy]methyl]phenyl]benzoic acid
CID 171472968
2-[4-[(2-butyl-6-phenylmethoxybenzimidazol-1-yl)methyl]phenyl]benzoic acid
CID 57265953
4-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907394
2-(4-octylphenyl)benzoic acid
CID 23035037
2-phenyl-4-phenylmethoxyquinoline
CID 14954067
5-pentyl-2,3-bis(phenylmethoxy)benzoic acid
CID 118026037
2-[4-(hydroxymethoxy)quinolin-2-yl]quinoline-4-carboxylic acid
CID 59551815
2-[4-(but-2-enoxymethyl)phenyl]benzoic acid
CID 76983543
2-(4-propoxyphenyl)benzoic acid
CID 62802761

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid (CID 11741515) is 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid is CCCc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid?
The InChIKey is NOBNOIVDXOQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO3/c1-2-7-20-16-25(23-10-5-6-11-24(23)27-20)30-17-18-12-14-19(15-13-18)21-8-3-4-9-22(21)26(28)29/h3-6,8-16H,2,7,17H2,1H3,(H,28,29).
What are the key properties of 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid?
2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid has a molecular weight of 397.47 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propylquinolin-4-yl)oxymethyl]phenyl]benzoic acid is sourced from PubChem (CID 11741515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).