[2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate

C16H18N2O3 — CID 2427239

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC(C)C)c2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-10(2)17-15(19)9-21-16(20)13-8-11(3)18-14-7-5-4-6-12(13)14/h4-8,10H,9H2,1-3H3,(H,17,19)
InChIKeyNHRIMAOPGZGMKA-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.22
Rot. Bonds4

About [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2427239) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
PubChem CID2427239
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)NC(C)C)c2ccccc2n1
InChIInChI=1S/C16H18N2O3/c1-10(2)17-15(19)9-21-16(20)13-8-11(3)18-14-7-5-4-6-12(13)14/h4-8,10H,9H2,1-3H3,(H,17,19)
InChIKeyNHRIMAOPGZGMKA-UHFFFAOYSA-N
XLogP2.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate (CID 2427239) is [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)NC(C)C)c2ccccc2n1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is NHRIMAOPGZGMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10(2)17-15(19)9-21-16(20)13-8-11(3)18-14-7-5-4-6-12(13)14/h4-8,10H,9H2,1-3H3,(H,17,19).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 286.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2427239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).