[1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

C22H20N2O3 — CID 25162628

IUPAC[1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate
SMILESCC(OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-16(22(26)24(2)19-9-4-3-5-10-19)27-21(25)15-14-18-13-12-17-8-6-7-11-20(17)23-18/h3-16H,1-2H3/b15-14+
InChIKeyRARDCHPOOZNKNO-CCEZHUSRSA-N
MW360.41 g/mol
LogP3.84
Rot. Bonds5

About [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

[1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate (PubChem CID 25162628) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate.

Molecular Properties

Compound Name[1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate
PubChem CID25162628
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name[1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate
SMILESCC(OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C22H20N2O3/c1-16(22(26)24(2)19-9-4-3-5-10-19)27-21(25)15-14-18-13-12-17-8-6-7-11-20(17)23-18/h3-16H,1-2H3/b15-14+
InChIKeyRARDCHPOOZNKNO-CCEZHUSRSA-N
XLogP3.84
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate?
The IUPAC name of [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate (CID 25162628) is [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate.
What is the SMILES notation for [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate?
The canonical SMILES for [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate is CC(OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)N(C)c1ccccc1.
What is the InChIKey of [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate?
The InChIKey is RARDCHPOOZNKNO-CCEZHUSRSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(22(26)24(2)19-9-4-3-5-10-19)27-21(25)15-14-18-13-12-17-8-6-7-11-20(17)23-18/h3-16H,1-2H3/b15-14+.
What are the key properties of [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate?
[1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate has a molecular weight of 360.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(N-methylanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate is sourced from PubChem (CID 25162628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).