4-[(2-methylquinolin-4-yl)methoxy]benzoic acid

C18H15NO3 — CID 22032775

IUPAC4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
SMILESCc1cc(COc2ccc(C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C18H15NO3/c1-12-10-14(16-4-2-3-5-17(16)19-12)11-22-15-8-6-13(7-9-15)18(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyHZDDOASQIVIDKZ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.82
Rot. Bonds4

About 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid

4-[(2-methylquinolin-4-yl)methoxy]benzoic acid (PubChem CID 22032775) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
PubChem CID22032775
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
SMILESCc1cc(COc2ccc(C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C18H15NO3/c1-12-10-14(16-4-2-3-5-17(16)19-12)11-22-15-8-6-13(7-9-15)18(20)21/h2-10H,11H2,1H3,(H,20,21)
InChIKeyHZDDOASQIVIDKZ-UHFFFAOYSA-N
XLogP3.82
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methylquinolin-4-yl)methoxy]benzenesulfinic acid
CID 22032785
4-[(2-methylquinolin-4-yl)methoxy]thiophene-2-carboxylic acid
CID 79234546
[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methanamine
CID 22148915
[4-[(2-methylquinolin-4-yl)methoxy]phenyl] pentanoate
CID 143099066
1-[[4-[(2-methylquinolin-4-yl)methoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 67562723
2-[4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]oxan-4-yl]acetic acid
CID 22032786
CID 67883357
CID 67883357
(2S)-2-(4-ethylpiperazin-1-yl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]propanoic acid
CID 67056976
4-[(3-methylquinoxalin-2-yl)methoxy]benzoic acid
CID 4601596
N-(2-methyl-6-oxocyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729958
N-(2-ethyl-6-methylcyclohexyl)-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 20729941
(3R,4S)-N-hydroxy-4-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]pyrrolidine-3-carboxamide
CID 87907192

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid?
The IUPAC name of 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid (CID 22032775) is 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid?
The canonical SMILES for 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid is Cc1cc(COc2ccc(C(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid?
The InChIKey is HZDDOASQIVIDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12-10-14(16-4-2-3-5-17(16)19-12)11-22-15-8-6-13(7-9-15)18(20)21/h2-10H,11H2,1H3,(H,20,21).
What are the key properties of 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid?
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylquinolin-4-yl)methoxy]benzoic acid is sourced from PubChem (CID 22032775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).