(E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one

C17H19N3O — CID 129009156

IUPAC(E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one
SMILESCC1CNCCN1C(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C17H19N3O/c1-13-12-18-10-11-20(13)17(21)9-8-15-7-6-14-4-2-3-5-16(14)19-15/h2-9,13,18H,10-12H2,1H3/b9-8+
InChIKeyWCYROTALNKBLIU-CMDGGOBGSA-N
MW281.36 g/mol
LogP2.07
Rot. Bonds2

About (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one

(E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one (PubChem CID 129009156) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one
PubChem CID129009156
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one
SMILESCC1CNCCN1C(=O)/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C17H19N3O/c1-13-12-18-10-11-20(13)17(21)9-8-15-7-6-14-4-2-3-5-16(14)19-15/h2-9,13,18H,10-12H2,1H3/b9-8+
InChIKeyWCYROTALNKBLIU-CMDGGOBGSA-N
XLogP2.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-1-(2-methylpiperazin-1-yl)prop-2-en-1-one
CID 126790047
3-(2-chlorophenyl)-1-(2-methylpiperazin-1-yl)prop-2-en-1-one
CID 126771870
(E)-3-(4-chlorophenyl)-1-[(2R)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 82704903
1-[2-(aminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
CID 126782984
(E)-1-[(2S)-2-methylpiperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
CID 82705198
1-(2-methylpiperidin-1-yl)-3-quinoxalin-2-ylprop-2-en-1-one
CID 71903618
(E)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-quinolin-2-ylprop-2-en-1-one
CID 9158346
methyl 3-quinolin-2-ylprop-2-enoate
CID 513392
3-(4-methoxyphenyl)-1-(2-methylpiperazin-1-yl)but-2-en-1-one
CID 126766989
1-[3-(methylaminomethyl)piperidin-1-yl]-3-quinolin-2-ylprop-2-en-1-one;hydrochloride
CID 126789910
(E)-1-naphthalen-2-yl-3-quinolin-2-ylprop-2-en-1-one
CID 66760009
[2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 110109299

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one?
The IUPAC name of (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one (CID 129009156) is (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one is CC1CNCCN1C(=O)/C=C/c1ccc2ccccc2n1.
What is the InChIKey of (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one?
The InChIKey is WCYROTALNKBLIU-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-12-18-10-11-20(13)17(21)9-8-15-7-6-14-4-2-3-5-16(14)19-15/h2-9,13,18H,10-12H2,1H3/b9-8+.
What are the key properties of (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one?
(E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one has a molecular weight of 281.36 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2-methylpiperazin-1-yl)-3-quinolin-2-ylprop-2-en-1-one is sourced from PubChem (CID 129009156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).