[2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

C15H16N2O3 — CID 2089511

IUPAC[2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H16N2O3/c1-3-16-14(18)9-20-15(19)12-8-10(2)17-13-7-5-4-6-11(12)13/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyNQWXIQIPWSQZIY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.84
Rot. Bonds4

About [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2089511) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID2089511
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(C)nc2ccccc12
InChIInChI=1S/C15H16N2O3/c1-3-16-14(18)9-20-15(19)12-8-10(2)17-13-7-5-4-6-11(12)13/h4-8H,3,9H2,1-2H3,(H,16,18)
InChIKeyNQWXIQIPWSQZIY-UHFFFAOYSA-N
XLogP1.84
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 2089511) is [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is CCNC(=O)COC(=O)c1cc(C)nc2ccccc12.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is NQWXIQIPWSQZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-16-14(18)9-20-15(19)12-8-10(2)17-13-7-5-4-6-11(12)13/h4-8H,3,9H2,1-2H3,(H,16,18).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2089511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).