[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

C22H20N2O4 — CID 4115109

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC3CC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N2O4/c1-27-16-10-6-14(7-11-16)20-12-18(17-4-2-3-5-19(17)24-20)22(26)28-13-21(25)23-15-8-9-15/h2-7,10-12,15H,8-9,13H2,1H3,(H,23,25)
InChIKeyJZNOYQCTNKIPGT-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.35
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (PubChem CID 4115109) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
PubChem CID4115109
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
SMILESCOc1ccc(-c2cc(C(=O)OCC(=O)NC3CC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H20N2O4/c1-27-16-10-6-14(7-11-16)20-12-18(17-4-2-3-5-19(17)24-20)22(26)28-13-21(25)23-15-8-9-15/h2-7,10-12,15H,8-9,13H2,1H3,(H,23,25)
InChIKeyJZNOYQCTNKIPGT-UHFFFAOYSA-N
XLogP3.35
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate (CID 4115109) is [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is COc1ccc(-c2cc(C(=O)OCC(=O)NC3CC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
The InChIKey is JZNOYQCTNKIPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-16-10-6-14(7-11-16)20-12-18(17-4-2-3-5-19(17)24-20)22(26)28-13-21(25)23-15-8-9-15/h2-7,10-12,15H,8-9,13H2,1H3,(H,23,25).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate is sourced from PubChem (CID 4115109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).