2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid

C21H18N2O6 — CID 170747979

IUPAC2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccnc2cc(OCC(=O)OCc3ccccc3)ccc12
InChIInChI=1S/C21H18N2O6/c24-19(25)11-23-21(27)17-8-9-22-18-10-15(6-7-16(17)18)28-13-20(26)29-12-14-4-2-1-3-5-14/h1-10H,11-13H2,(H,23,27)(H,24,25)
InChIKeyCGXUXUMGAQAVOR-UHFFFAOYSA-N
MW394.38 g/mol
LogP2.17
Rot. Bonds8

About 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid

2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid (PubChem CID 170747979) has the molecular formula C21H18N2O6 and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid
PubChem CID170747979
Molecular FormulaC21H18N2O6
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccnc2cc(OCC(=O)OCc3ccccc3)ccc12
InChIInChI=1S/C21H18N2O6/c24-19(25)11-23-21(27)17-8-9-22-18-10-15(6-7-16(17)18)28-13-20(26)29-12-14-4-2-1-3-5-14/h1-10H,11-13H2,(H,23,27)(H,24,25)
InChIKeyCGXUXUMGAQAVOR-UHFFFAOYSA-N
XLogP2.17
TPSA114.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-[(7-ethoxyquinoline-4-carbonyl)amino]acetate
CID 174250162
2-[(3-oxo-3-phenylmethoxypropanoyl)amino]acetic acid
CID 69081504
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
benzyl 2-[4-methoxy-N-(quinoline-4-carbonyl)anilino]acetate
CID 20871809
[4-[(2-phenoxyacetyl)oxymethyl]phenyl]methyl 2-phenoxyacetate
CID 2362107
benzyl 2-(4-iodophenoxy)acetate
CID 70249415
benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
CID 7980506
2-[4-[[1-(pyrrolidine-1-carbonyl)cyclopropyl]carbamoyl]quinolin-7-yl]oxyacetic acid
CID 176691703
benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
benzyl 2-[[2-(phenoxymethyl)benzoyl]amino]acetate
CID 32982202
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
2-[[6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]quinoline-4-carbonyl]amino]acetic acid
CID 146810072

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid (CID 170747979) is 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid is O=C(O)CNC(=O)c1ccnc2cc(OCC(=O)OCc3ccccc3)ccc12.
What is the InChIKey of 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid?
The InChIKey is CGXUXUMGAQAVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O6/c24-19(25)11-23-21(27)17-8-9-22-18-10-15(6-7-16(17)18)28-13-20(26)29-12-14-4-2-1-3-5-14/h1-10H,11-13H2,(H,23,27)(H,24,25).
What are the key properties of 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid?
2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid has a molecular weight of 394.38 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(2-oxo-2-phenylmethoxyethoxy)quinoline-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 170747979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).