2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid

C20H20N2O3 — CID 110432724

IUPAC2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid
SMILESCOc1ccc(CCNc2cc(CC(=O)O)nc3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-25-16-8-6-14(7-9-16)10-11-21-19-12-15(13-20(23)24)22-18-5-3-2-4-17(18)19/h2-9,12H,10-11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyOLNJXKOUOBANER-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.53
Rot. Bonds7

About 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid

2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid (PubChem CID 110432724) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid
PubChem CID110432724
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid
SMILESCOc1ccc(CCNc2cc(CC(=O)O)nc3ccccc23)cc1
InChIInChI=1S/C20H20N2O3/c1-25-16-8-6-14(7-9-16)10-11-21-19-12-15(13-20(23)24)22-18-5-3-2-4-17(18)19/h2-9,12H,10-11,13H2,1H3,(H,21,22)(H,23,24)
InChIKeyOLNJXKOUOBANER-UHFFFAOYSA-N
XLogP3.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-methoxypropylamino)quinolin-2-yl]acetic acid
CID 110432706
2-[4-[(4-fluorophenyl)methylamino]quinolin-2-yl]acetic acid
CID 110432713
3-[(2-propylquinolin-4-yl)amino]propanoic acid
CID 122048260
4-[2-[(2-methylquinolin-4-yl)amino]ethyl]phenol
CID 61238902
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
3-[2-[(2-ethylquinolin-4-yl)amino]ethyl]-N,N-dimethylbenzamide
CID 133402369
N-[4-methoxy-2-(2-phenylethylamino)phenyl]acetamide
CID 75438254
2-[4-(3-methylanilino)quinolin-2-yl]acetic acid
CID 110435464
8-methoxy-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinolin-4-amine
CID 110432820
2-(7-methoxy-4-methylquinolin-2-yl)acetic acid
CID 82574913
2-[4-(2-hydroxy-5-methylanilino)quinolin-2-yl]acetic acid
CID 110435512
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid (CID 110432724) is 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid is COc1ccc(CCNc2cc(CC(=O)O)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid?
The InChIKey is OLNJXKOUOBANER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-25-16-8-6-14(7-9-16)10-11-21-19-12-15(13-20(23)24)22-18-5-3-2-4-17(18)19/h2-9,12H,10-11,13H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid?
2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid has a molecular weight of 336.39 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-methoxyphenyl)ethylamino]quinolin-2-yl]acetic acid is sourced from PubChem (CID 110432724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).