2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid

C14H14N2O4 — CID 61021751

IUPAC2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C14H14N2O4/c1-2-16(8-12(17)18)14(20)10-7-15-11-6-4-3-5-9(11)13(10)19/h3-7H,2,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyZPZOUPTYIXGKLD-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.07
Rot. Bonds4

About 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid

2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid (PubChem CID 61021751) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
PubChem CID61021751
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C14H14N2O4/c1-2-16(8-12(17)18)14(20)10-7-15-11-6-4-3-5-9(11)13(10)19/h3-7H,2,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyZPZOUPTYIXGKLD-UHFFFAOYSA-N
XLogP1.07
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-oxo-1H-quinoline-3-carbonyl)-prop-2-ynylamino]acetic acid
CID 79271415
N-ethyl-4-oxo-1H-quinoline-3-carbohydrazide
CID 121014787
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-1H-indole-3-carboxamide
CID 60659810
6-bromo-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 86789154
2-[ethyl-(3-methyl-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]acetic acid
CID 119206376
N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1H-quinoline-3-carboxamide
CID 39920536
N-ethyl-N-(thiophen-2-ylmethyl)-1H-indole-3-carboxamide
CID 60659716
N-ethyl-N-(4-fluorophenyl)-1H-indole-3-carboxamide
CID 60661185
butyl 4-oxo-1H-quinoline-3-carboxylate
CID 11630136
ethane;N-(2-methylphenyl)-4-oxo-1H-quinoline-3-carboxamide;propane
CID 90785095
N-(2-amino-2-oxoethyl)-N-butyl-1H-indole-3-carboxamide
CID 60958664
N,4-dioxo-1H-quinoline-3-carboxamide
CID 118327935

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid (CID 61021751) is 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
The InChIKey is ZPZOUPTYIXGKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-2-16(8-12(17)18)14(20)10-7-15-11-6-4-3-5-9(11)13(10)19/h3-7H,2,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid?
2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid has a molecular weight of 274.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(4-oxo-1H-quinoline-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 61021751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).