[2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate

C19H16N2O3 — CID 2370753

IUPAC[2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)NCc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18(20-12-14-6-2-1-3-7-14)13-24-19(23)17-11-10-15-8-4-5-9-16(15)21-17/h1-11H,12-13H2,(H,20,22)
InChIKeyAUEHNAIGOJTVQN-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.71
Rot. Bonds5

About [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate

[2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 2370753) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate
PubChem CID2370753
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name[2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate
SMILESO=C(COC(=O)c1ccc2ccccc2n1)NCc1ccccc1
InChIInChI=1S/C19H16N2O3/c22-18(20-12-14-6-2-1-3-7-14)13-24-19(23)17-11-10-15-8-4-5-9-16(15)21-17/h1-11H,12-13H2,(H,20,22)
InChIKeyAUEHNAIGOJTVQN-UHFFFAOYSA-N
XLogP2.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate (CID 2370753) is [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate is O=C(COC(=O)c1ccc2ccccc2n1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is AUEHNAIGOJTVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c22-18(20-12-14-6-2-1-3-7-14)13-24-19(23)17-11-10-15-8-4-5-9-16(15)21-17/h1-11H,12-13H2,(H,20,22).
What are the key properties of [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate?
[2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2370753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).