2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid

C27H30N2O4 — CID 155127350

IUPAC2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
SMILESCc1cc(-c2ccccc2C)c2ccc(OC(C)C(=O)N3CCC[C@H](CC(=O)O)C3)cc2n1
InChIInChI=1S/C27H30N2O4/c1-17-7-4-5-9-22(17)24-13-18(2)28-25-15-21(10-11-23(24)25)33-19(3)27(32)29-12-6-8-20(16-29)14-26(30)31/h4-5,7,9-11,13,15,19-20H,6,8,12,14,16H2,1-3H3,(H,30,31)/t19?,20-/m1/s1
InChIKeyKNRYEUHQYBRILP-GFOWMXPYSA-N
MW446.55 g/mol
LogP5.00
Rot. Bonds6

About 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid

2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid (PubChem CID 155127350) has the molecular formula C27H30N2O4 and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
PubChem CID155127350
Molecular FormulaC27H30N2O4
Molecular Weight446.55 g/mol
Exact Mass446.22
IUPAC Name2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
SMILESCc1cc(-c2ccccc2C)c2ccc(OC(C)C(=O)N3CCC[C@H](CC(=O)O)C3)cc2n1
InChIInChI=1S/C27H30N2O4/c1-17-7-4-5-9-22(17)24-13-18(2)28-25-15-21(10-11-23(24)25)33-19(3)27(32)29-12-6-8-20(16-29)14-26(30)31/h4-5,7,9-11,13,15,19-20H,6,8,12,14,16H2,1-3H3,(H,30,31)/t19?,20-/m1/s1
InChIKeyKNRYEUHQYBRILP-GFOWMXPYSA-N
XLogP5.00
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic 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

2-[(3R)-1-[(2R)-2-[4-[2-(dimethylamino)phenyl]quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
CID 155127467
2-[(3R)-1-[2-[4-(2-cyanophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
CID 155127469
ethyl 2-[1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidin-3-yl]acetate
CID 151223866
2-[1-[2-[4-(2-chlorophenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid
CID 138490837
2-[(3R)-1-[2-[2-chloro-4-(2-chloro-4-fluorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]-N-methylacetamide
CID 155127257
2-[(3R)-1-[(2R)-2-[4-(2-chloro-4-fluorophenyl)-2-methylquinolin-7-yl]oxypropanoyl]piperidin-3-yl]butanoic acid
CID 170171520
(3R)-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 138490753
(3R)-1-[2-[4-(2-chloro-4-fluorophenyl)-2-methylquinolin-7-yl]oxypropanoyl]piperidine-3-sulfonamide
CID 155127742
2-[1-[2-[4-(2-chlorophenyl)quinolin-7-yl]oxypropanoyl]piperidin-4-yl]acetic acid
CID 155127773
N-methyl-1-[2-[4-(2-methylphenyl)-2-oxochromen-7-yl]oxypropanoyl]piperidine-3-carboxamide
CID 138490731
4-(2-methylphenyl)-7-[1-(3-methylsulfonylpiperidin-1-yl)-1-oxopropan-2-yl]oxy-2H-isoquinolin-1-one
CID 167498518
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one
CID 119398780

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid (CID 155127350) is 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid is Cc1cc(-c2ccccc2C)c2ccc(OC(C)C(=O)N3CCC[C@H](CC(=O)O)C3)cc2n1.
What is the InChIKey of 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid?
The InChIKey is KNRYEUHQYBRILP-GFOWMXPYSA-N. The full InChI is InChI=1S/C27H30N2O4/c1-17-7-4-5-9-22(17)24-13-18(2)28-25-15-21(10-11-23(24)25)33-19(3)27(32)29-12-6-8-20(16-29)14-26(30)31/h4-5,7,9-11,13,15,19-20H,6,8,12,14,16H2,1-3H3,(H,30,31)/t19?,20-/m1/s1.
What are the key properties of 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid?
2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid has a molecular weight of 446.55 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[2-[2-methyl-4-(2-methylphenyl)quinolin-7-yl]oxypropanoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 155127350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).