2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid

C26H23ClN2O2 — CID 168793988

IUPAC2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(-c2ccccc2)c2cc(CCc3ccccc3Cl)ccc2n1
InChIInChI=1S/C26H23ClN2O2/c1-29(17-26(30)31)25-16-21(19-7-3-2-4-8-19)22-15-18(12-14-24(22)28-25)11-13-20-9-5-6-10-23(20)27/h2-10,12,14-16H,11,13,17H2,1H3,(H,30,31)
InChIKeyGGKSBKAYFMALMB-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.86
Rot. Bonds7

About 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid

2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid (PubChem CID 168793988) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid
PubChem CID168793988
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC Name2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(-c2ccccc2)c2cc(CCc3ccccc3Cl)ccc2n1
InChIInChI=1S/C26H23ClN2O2/c1-29(17-26(30)31)25-16-21(19-7-3-2-4-8-19)22-15-18(12-14-24(22)28-25)11-13-20-9-5-6-10-23(20)27/h2-10,12,14-16H,11,13,17H2,1H3,(H,30,31)
InChIKeyGGKSBKAYFMALMB-UHFFFAOYSA-N
XLogP5.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid (CID 168793988) is 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid is CN(CC(=O)O)c1cc(-c2ccccc2)c2cc(CCc3ccccc3Cl)ccc2n1.
What is the InChIKey of 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid?
The InChIKey is GGKSBKAYFMALMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c1-29(17-26(30)31)25-16-21(19-7-3-2-4-8-19)22-15-18(12-14-24(22)28-25)11-13-20-9-5-6-10-23(20)27/h2-10,12,14-16H,11,13,17H2,1H3,(H,30,31).
What are the key properties of 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid?
2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid has a molecular weight of 430.94 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid is sourced from PubChem (CID 168793988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).