[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate

C22H20N2O4 — CID 40763723

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C22H20N2O4/c1-27-16-10-8-15(9-11-16)23-21(25)13-28-22(26)18-12-20(14-6-7-14)24-19-5-3-2-4-17(18)19/h2-5,8-12,14H,6-7,13H2,1H3,(H,23,25)
InChIKeyLZPGNMOWYSYCNH-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.92
Rot. Bonds6

About [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate

[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate (PubChem CID 40763723) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
PubChem CID40763723
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
SMILESCOc1ccc(NC(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)cc1
InChIInChI=1S/C22H20N2O4/c1-27-16-10-8-15(9-11-16)23-21(25)13-28-22(26)18-12-20(14-6-7-14)24-19-5-3-2-4-17(18)19/h2-5,8-12,14H,6-7,13H2,1H3,(H,23,25)
InChIKeyLZPGNMOWYSYCNH-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(4-methoxyphenyl)carbamoyl]-1,3,4-thiadiazol-2-yl]methyl 2-cyclopropylquinoline-4-carboxylate
CID 55601388
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484664
[2-oxo-2-(prop-2-ynylamino)ethyl] 2-cyclopropylquinoline-4-carboxylate
CID 8565545
[2-(4-ethoxycarbonylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17258500
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate
CID 8565614
[2-(3-methoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484557
[2-(3-methylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)quinoline-4-carboxylate
CID 17261984
[2-(4-ethoxyanilino)-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009892
2-O-[2-(4-methoxyanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505239
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484633
[2-(4-methoxyanilino)-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2573596
[2-oxo-2-(4-phenylanilino)ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681326

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate (CID 40763723) is [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate is COc1ccc(NC(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate?
The InChIKey is LZPGNMOWYSYCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-27-16-10-8-15(9-11-16)23-21(25)13-28-22(26)18-12-20(14-6-7-14)24-19-5-3-2-4-17(18)19/h2-5,8-12,14H,6-7,13H2,1H3,(H,23,25).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-cyclopropylquinoline-4-carboxylate is sourced from PubChem (CID 40763723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).