1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one

C21H24N4O2 — CID 172889285

IUPAC1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H24N4O2/c1-2-20(26)25-11-5-8-18(25)21(27)24-14-12-23(13-15-24)19-10-9-16-6-3-4-7-17(16)22-19/h2-4,6-7,9-10,18H,1,5,8,11-15H2/t18-/m1/s1
InChIKeyAXAMPTLJDAAXCX-GOSISDBHSA-N
MW364.45 g/mol
LogP2.06
Rot. Bonds3

About 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one

1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 172889285) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
PubChem CID172889285
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc3ccccc3n2)CC1
InChIInChI=1S/C21H24N4O2/c1-2-20(26)25-11-5-8-18(25)21(27)24-14-12-23(13-15-24)19-10-9-16-6-3-4-7-17(16)22-19/h2-4,6-7,9-10,18H,1,5,8,11-15H2/t18-/m1/s1
InChIKeyAXAMPTLJDAAXCX-GOSISDBHSA-N
XLogP2.06
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one with MolForge

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Related Compounds

cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 167768729
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
2-[4-[2-oxo-2-(4-quinolin-2-ylpiperazin-1-yl)ethyl]piperazin-1-yl]-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 4310270
2-piperidin-1-yl-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 567081
1-(2-quinolin-3-ylpyrrolidin-1-yl)prop-2-en-1-one
CID 51346071
(Z)-but-2-enedioic acid;ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 126476747

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one (CID 172889285) is 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc3ccccc3n2)CC1.
What is the InChIKey of 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one?
The InChIKey is AXAMPTLJDAAXCX-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-2-20(26)25-11-5-8-18(25)21(27)24-14-12-23(13-15-24)19-10-9-16-6-3-4-7-17(16)22-19/h2-4,6-7,9-10,18H,1,5,8,11-15H2/t18-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one?
1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 364.45 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-quinolin-2-ylpiperazine-1-carbonyl)pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 172889285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).