(2-anilino-2-oxoethyl) quinoline-2-carboxylate

C18H14N2O3 — CID 2116676

IUPAC(2-anilino-2-oxoethyl) quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1
InChIInChI=1S/C18H14N2O3/c21-17(19-14-7-2-1-3-8-14)12-23-18(22)16-11-10-13-6-4-5-9-15(13)20-16/h1-11H,12H2,(H,19,21)
InChIKeyAAFKBDRKIZNVOI-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.03
Rot. Bonds4

About (2-anilino-2-oxoethyl) quinoline-2-carboxylate

(2-anilino-2-oxoethyl) quinoline-2-carboxylate (PubChem CID 2116676) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) quinoline-2-carboxylate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) quinoline-2-carboxylate
PubChem CID2116676
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name(2-anilino-2-oxoethyl) quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1
InChIInChI=1S/C18H14N2O3/c21-17(19-14-7-2-1-3-8-14)12-23-18(22)16-11-10-13-6-4-5-9-15(13)20-16/h1-11H,12H2,(H,19,21)
InChIKeyAAFKBDRKIZNVOI-UHFFFAOYSA-N
XLogP3.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-anilino-2-oxoethyl) quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693
2-(Naphthalen-1-ylamino)-2-oxoethyl pyridine-2-carboxylate
CID 900761
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
[2-(4-Ethoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2084031
[2-(Ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2089511
[2-(2-Methoxyanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2343068
[2-[(4-Methoxyphenyl)methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 2347318
[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2417563
[2-Oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
CID 2427239
(2-Oxo-2-piperidin-1-ylethyl) quinoline-2-carboxylate
CID 2454583
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
[2-oxo-2-(prop-2-enylamino)ethyl] 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 3442697

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) quinoline-2-carboxylate?
The IUPAC name of (2-anilino-2-oxoethyl) quinoline-2-carboxylate (CID 2116676) is (2-anilino-2-oxoethyl) quinoline-2-carboxylate.
What is the SMILES notation for (2-anilino-2-oxoethyl) quinoline-2-carboxylate?
The canonical SMILES for (2-anilino-2-oxoethyl) quinoline-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) quinoline-2-carboxylate?
The InChIKey is AAFKBDRKIZNVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-17(19-14-7-2-1-3-8-14)12-23-18(22)16-11-10-13-6-4-5-9-15(13)20-16/h1-11H,12H2,(H,19,21).
What are the key properties of (2-anilino-2-oxoethyl) quinoline-2-carboxylate?
(2-anilino-2-oxoethyl) quinoline-2-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) quinoline-2-carboxylate is sourced from PubChem (CID 2116676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).