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

C24H19NO3 — CID 10453972

IUPAC2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid
SMILESCc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H19NO3/c1-16-14-23(21-8-4-5-9-22(21)25-16)28-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24(26)27/h2-14H,15H2,1H3,(H,26,27)
InChIKeyCZHTVPAZYQJIGP-UHFFFAOYSA-N
MW369.42 g/mol
LogP5.49
Rot. Bonds5

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

2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid (PubChem CID 10453972) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid
PubChem CID10453972
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid
SMILESCc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1
InChIInChI=1S/C24H19NO3/c1-16-14-23(21-8-4-5-9-22(21)25-16)28-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24(26)27/h2-14H,15H2,1H3,(H,26,27)
InChIKeyCZHTVPAZYQJIGP-UHFFFAOYSA-N
XLogP5.49
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.42
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid?
The IUPAC name of 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid (CID 10453972) is 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid?
The canonical SMILES for 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid is Cc1cc(OCc2ccc(-c3ccccc3C(=O)O)cc2)c2ccccc2n1.
What is the InChIKey of 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid?
The InChIKey is CZHTVPAZYQJIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-16-14-23(21-8-4-5-9-22(21)25-16)28-15-17-10-12-18(13-11-17)19-6-2-3-7-20(19)24(26)27/h2-14H,15H2,1H3,(H,26,27).
What are the key properties of 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid?
2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid has a molecular weight of 369.42 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylquinolin-4-yl)oxymethyl]phenyl]benzoic acid is sourced from PubChem (CID 10453972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).