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

C26H24N2O2 — CID 156809342

IUPAC2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid
SMILESCCc1ccc(-c2ccc3nc(N(C)CC(=O)O)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C26H24N2O2/c1-3-18-9-11-19(12-10-18)21-13-14-24-23(15-21)22(20-7-5-4-6-8-20)16-25(27-24)28(2)17-26(29)30/h4-16H,3,17H2,1-2H3,(H,29,30)
InChIKeyCRVRUBHSNKCVGB-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.65
Rot. Bonds6

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

2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid (PubChem CID 156809342) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid
PubChem CID156809342
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid
SMILESCCc1ccc(-c2ccc3nc(N(C)CC(=O)O)cc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C26H24N2O2/c1-3-18-9-11-19(12-10-18)21-13-14-24-23(15-21)22(20-7-5-4-6-8-20)16-25(27-24)28(2)17-26(29)30/h4-16H,3,17H2,1-2H3,(H,29,30)
InChIKeyCRVRUBHSNKCVGB-UHFFFAOYSA-N
XLogP5.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[6-[2-(2-chlorophenyl)ethyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid
CID 168793988
2-[[6-[(E)-2-ethoxyethenyl]-4-phenylquinolin-2-yl]-methylamino]acetic acid
CID 166667039
N,N-dimethyl-4,6-diphenylquinolin-2-amine
CID 164669718
2-[(4-ethylquinolin-2-yl)-methylamino]acetic acid
CID 175474960
2-[(6-hexyl-4-pyridin-3-ylquinolin-2-yl)-methylamino]acetic acid
CID 156809460
2-[2-[carboxymethyl(methyl)amino]-6-hexylquinolin-4-yl]benzoic acid
CID 156809467
6-ethyl-2,4-diphenylquinoline
CID 132522547
2-[[4-phenyl-6-(3-propylphenyl)quinolin-2-yl]amino]acetic acid
CID 175802370
2-[3-(4-ethylphenyl)phenyl]acetic acid
CID 1393629
1-(4-ethylphenyl)-3,5-diphenylbenzene
CID 123998830
2-[[4-(4-fluorophenyl)-6-hexylquinolin-2-yl]-(2-methylpropyl)amino]acetic acid
CID 156809407
3-[[6-butyl-4-(3-cyanophenyl)quinolin-2-yl]-methylamino]-2-methylpropanoic acid
CID 156809521

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid?
The IUPAC name of 2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid (CID 156809342) is 2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid.
What is the SMILES notation for 2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid?
The canonical SMILES for 2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid is CCc1ccc(-c2ccc3nc(N(C)CC(=O)O)cc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid?
The InChIKey is CRVRUBHSNKCVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-3-18-9-11-19(12-10-18)21-13-14-24-23(15-21)22(20-7-5-4-6-8-20)16-25(27-24)28(2)17-26(29)30/h4-16H,3,17H2,1-2H3,(H,29,30).
What are the key properties of 2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid?
2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid has a molecular weight of 396.49 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-ethylphenyl)-4-phenylquinolin-2-yl]-methylamino]acetic acid is sourced from PubChem (CID 156809342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).