[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

C20H18N2O3 — CID 2417563

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H18N2O3/c1-14-12-17(16-10-6-7-11-18(16)21-14)20(24)25-13-19(23)22(2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
InChIKeyRYQSHGJEUSPDIO-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.36
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate

[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (PubChem CID 2417563) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
PubChem CID2417563
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N(C)c2ccccc2)c2ccccc2n1
InChIInChI=1S/C20H18N2O3/c1-14-12-17(16-10-6-7-11-18(16)21-14)20(24)25-13-19(23)22(2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
InChIKeyRYQSHGJEUSPDIO-UHFFFAOYSA-N
XLogP3.36
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate (CID 2417563) is [2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate is Cc1cc(C(=O)OCC(=O)N(C)c2ccccc2)c2ccccc2n1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
The InChIKey is RYQSHGJEUSPDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c1-14-12-17(16-10-6-7-11-18(16)21-14)20(24)25-13-19(23)22(2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate has a molecular weight of 334.38 g/mol, XLogP of 3.36, 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] 2-methylquinoline-4-carboxylate is sourced from PubChem (CID 2417563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).