(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid

C24H20N2O3 — CID 57268488

IUPAC(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
SMILESO=C(O)[C@@H](Nc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1
InChIInChI=1S/C24H20N2O3/c27-24(28)23(18-8-2-1-3-9-18)26-19-10-6-11-21(15-19)29-16-20-14-13-17-7-4-5-12-22(17)25-20/h1-15,23,26H,16H2,(H,27,28)/t23-/m0/s1
InChIKeyKPYNDAFFOVURFY-QHCPKHFHSA-N
MW384.44 g/mol
LogP5.05
Rot. Bonds7

About (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid

(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid (PubChem CID 57268488) has the molecular formula C24H20N2O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
PubChem CID57268488
Molecular FormulaC24H20N2O3
Molecular Weight384.44 g/mol
Exact Mass384.15
IUPAC Name(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid
SMILESO=C(O)[C@@H](Nc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1
InChIInChI=1S/C24H20N2O3/c27-24(28)23(18-8-2-1-3-9-18)26-19-10-6-11-21(15-19)29-16-20-14-13-17-7-4-5-12-22(17)25-20/h1-15,23,26H,16H2,(H,27,28)/t23-/m0/s1
InChIKeyKPYNDAFFOVURFY-QHCPKHFHSA-N
XLogP5.05
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethoxyanilino)-2-phenylacetic acid
CID 103245685
1,1-dimethyl-3-[3-(quinolin-2-ylmethoxy)phenyl]urea
CID 67888713
(2S,3S)-2-hydroxy-3-phenyl-3-[4-(quinolin-2-ylmethoxy)anilino]propanoic acid
CID 22846378
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-[[3-(dimethylsulfamoylamino)phenoxy]methyl]quinoline
CID 14548115
1-[(2R)-2-hydroxy-2-[3-(quinolin-2-ylmethoxy)phenyl]ethyl]-3-methylurea
CID 14675600
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
2-chloro-5-(quinolin-2-ylmethoxy)benzoic acid
CID 110168584
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
1-[3-(quinolin-2-ylmethoxy)phenyl]hexane-1,2-diol
CID 21280540

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid?
The IUPAC name of (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid (CID 57268488) is (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid.
What is the SMILES notation for (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid?
The canonical SMILES for (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid is O=C(O)[C@@H](Nc1cccc(OCc2ccc3ccccc3n2)c1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid?
The InChIKey is KPYNDAFFOVURFY-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H20N2O3/c27-24(28)23(18-8-2-1-3-9-18)26-19-10-6-11-21(15-19)29-16-20-14-13-17-7-4-5-12-22(17)25-20/h1-15,23,26H,16H2,(H,27,28)/t23-/m0/s1.
What are the key properties of (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid?
(2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid has a molecular weight of 384.44 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[3-(quinolin-2-ylmethoxy)anilino]acetic acid is sourced from PubChem (CID 57268488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).