2-[ethyl(quinoline-6-carbonyl)amino]acetic acid

C14H14N2O3 — CID 62849704

IUPAC2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O3/c1-2-16(9-13(17)18)14(19)11-5-6-12-10(8-11)4-3-7-15-12/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyIFSDVKMDOBSVRK-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.78
Rot. Bonds4

About 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid

2-[ethyl(quinoline-6-carbonyl)amino]acetic acid (PubChem CID 62849704) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
PubChem CID62849704
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[ethyl(quinoline-6-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1ccc2ncccc2c1
InChIInChI=1S/C14H14N2O3/c1-2-16(9-13(17)18)14(19)11-5-6-12-10(8-11)4-3-7-15-12/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyIFSDVKMDOBSVRK-UHFFFAOYSA-N
XLogP1.78
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-hydroxyiminoethyl)-N-ethylquinoline-6-carboxamide
CID 76951107
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 91762656
ethane;quinoline-6-carboxylic acid
CID 91364452
N-(2-bromoethyl)-N-methylquinoline-6-carboxamide
CID 80658342
N-[2-(diethylamino)-2-oxo-1-phenylethyl]quinoline-6-carboxamide
CID 142776250
2-[(3,4-dichlorobenzoyl)-ethylamino]acetic acid
CID 54901166
N-(5-chloropentyl)-N-methylquinoline-6-carboxamide
CID 107205485
2-[(3-chlorobenzoyl)-ethylamino]acetic acid
CID 61021485
2-[[2-(dimethylamino)pyridine-4-carbonyl]-ethylamino]acetic acid
CID 61021274
N-(4-amino-4-sulfanylidenebutan-2-yl)-N-methylquinoline-6-carboxamide
CID 63223594
2-[(3,5-dihydroxybenzoyl)-ethylamino]acetic acid
CID 107702457
N-(2-phenylethyl)quinoline-6-carboxamide
CID 2823262

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid (CID 62849704) is 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1ccc2ncccc2c1.
What is the InChIKey of 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid?
The InChIKey is IFSDVKMDOBSVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-16(9-13(17)18)14(19)11-5-6-12-10(8-11)4-3-7-15-12/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid?
2-[ethyl(quinoline-6-carbonyl)amino]acetic acid has a molecular weight of 258.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(quinoline-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 62849704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).