[2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate

C19H16N2O3 — CID 2352915

IUPAC[2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-21(15-8-3-2-4-9-15)18(22)13-24-19(23)17-12-11-14-7-5-6-10-16(14)20-17/h2-12H,13H2,1H3
InChIKeyXSBXVRZOLLZOKK-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.05
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate

[2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate (PubChem CID 2352915) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
PubChem CID2352915
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate
SMILESCN(C(=O)COC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-21(15-8-3-2-4-9-15)18(22)13-24-19(23)17-12-11-14-7-5-6-10-16(14)20-17/h2-12H,13H2,1H3
InChIKeyXSBXVRZOLLZOKK-UHFFFAOYSA-N
XLogP3.05
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 2630730
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] quinoline-2-carboxylate
CID 7486432
[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] quinoline-2-carboxylate
CID 7594553
[2-(4-methoxyphenyl)-2-oxoethyl] quinoline-2-carboxylate
CID 805957
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] quinoline-2-carboxylate
CID 7812962
[2-oxo-2-(pentan-3-ylamino)ethyl] quinoline-2-carboxylate
CID 2693091
[2-(N-methylanilino)-2-oxoethyl] 2-(methoxymethyl)-4-methylquinoline-3-carboxylate
CID 18144426
[2-(N-methylanilino)-2-oxoethyl] quinoxaline-6-carboxylate
CID 7677118
(4-phenylphenyl)methyl quinoline-2-carboxylate
CID 4968223
[2-(N-methylanilino)-2-oxoethyl] 2-amino-5-hydroxybenzoate
CID 23734119
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] quinoline-2-carboxylate
CID 16540465

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate (CID 2352915) is [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate is CN(C(=O)COC(=O)c1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate?
The InChIKey is XSBXVRZOLLZOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-21(15-8-3-2-4-9-15)18(22)13-24-19(23)17-12-11-14-7-5-6-10-16(14)20-17/h2-12H,13H2,1H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] quinoline-2-carboxylate is sourced from PubChem (CID 2352915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).