2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

C23H25NO3 — CID 74949056

IUPAC2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1
InChIInChI=1S/C23H25NO3/c1-14-10-12-16(13-11-14)20-17-8-6-7-9-18(17)24-15(2)19(20)21(22(25)26)27-23(3,4)5/h6-13,21H,1-5H3,(H,25,26)
InChIKeyORZNQMRZCHOXIM-UHFFFAOYSA-N
MW363.46 g/mol
LogP5.46
Rot. Bonds4

About 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (PubChem CID 74949056) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
PubChem CID74949056
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
SMILESCc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1
InChIInChI=1S/C23H25NO3/c1-14-10-12-16(13-11-14)20-17-8-6-7-9-18(17)24-15(2)19(20)21(22(25)26)27-23(3,4)5/h6-13,21H,1-5H3,(H,25,26)
InChIKeyORZNQMRZCHOXIM-UHFFFAOYSA-N
XLogP5.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The IUPAC name of 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid (CID 74949056) is 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid.
What is the SMILES notation for 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The canonical SMILES for 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is Cc1ccc(-c2c(C(OC(C)(C)C)C(=O)O)c(C)nc3ccccc23)cc1.
What is the InChIKey of 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
The InChIKey is ORZNQMRZCHOXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-14-10-12-16(13-11-14)20-17-8-6-7-9-18(17)24-15(2)19(20)21(22(25)26)27-23(3,4)5/h6-13,21H,1-5H3,(H,25,26).
What are the key properties of 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid?
2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid has a molecular weight of 363.46 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(4-methylphenyl)quinolin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid is sourced from PubChem (CID 74949056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).