2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid

C14H14N2O5 — CID 79469166

IUPAC2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O5/c17-12-7-11(16-10-4-2-1-3-9(10)12)14(20)15-5-6-21-8-13(18)19/h1-4,7H,5-6,8H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyXXEYQKQIECZLRU-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.36
Rot. Bonds6

About 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid

2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid (PubChem CID 79469166) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
PubChem CID79469166
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)c1cc(=O)c2ccccc2[nH]1
InChIInChI=1S/C14H14N2O5/c17-12-7-11(16-10-4-2-1-3-9(10)12)14(20)15-5-6-21-8-13(18)19/h1-4,7H,5-6,8H2,(H,15,20)(H,16,17)(H,18,19)
InChIKeyXXEYQKQIECZLRU-UHFFFAOYSA-N
XLogP0.36
TPSA108.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-4-oxo-1H-quinoline-2-carboxamide
CID 47115379
N-[3-(4-fluorophenoxy)propyl]-4-oxo-1H-quinoline-2-carboxamide
CID 51098622
[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-1H-quinoline-2-carboxylate
CID 7507078
4-oxo-N-[(2,4,6-trimethylphenyl)methyl]-1H-quinoline-2-carboxamide
CID 51091615
3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 60989084
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanedioic acid
CID 151134503
(2R)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 54991567
[(4-oxo-1H-quinoline-2-carbonyl)amino] butanoate
CID 154170770
N-[2-(2,2-difluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 103082568
(Z)-but-2-enedioic acid;N-(3-morpholin-4-ylpropyl)-4-oxo-1H-quinoline-2-carboxamide
CID 51057245
4-hydroxy-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]butanoic acid
CID 61244394
(2S)-2-[(4-oxo-1H-quinoline-2-carbonyl)amino]pentanoic acid
CID 107564052

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid (CID 79469166) is 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid is O=C(O)COCCNC(=O)c1cc(=O)c2ccccc2[nH]1.
What is the InChIKey of 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid?
The InChIKey is XXEYQKQIECZLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c17-12-7-11(16-10-4-2-1-3-9(10)12)14(20)15-5-6-21-8-13(18)19/h1-4,7H,5-6,8H2,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid?
2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid has a molecular weight of 290.28 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-oxo-1H-quinoline-2-carbonyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79469166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).