[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone

C19H24N4O — CID 167768729

IUPAC[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESCNC1CC(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C19H24N4O/c1-20-16-12-15(13-16)19(24)23-10-8-22(9-11-23)18-7-6-14-4-2-3-5-17(14)21-18/h2-7,15-16,20H,8-13H2,1H3
InChIKeyOUDDWYKBAURSKX-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.88
Rot. Bonds3

About [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone

[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone (PubChem CID 167768729) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
PubChem CID167768729
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone
SMILESCNC1CC(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)C1
InChIInChI=1S/C19H24N4O/c1-20-16-12-15(13-16)19(24)23-10-8-22(9-11-23)18-7-6-14-4-2-3-5-17(14)21-18/h2-7,15-16,20H,8-13H2,1H3
InChIKeyOUDDWYKBAURSKX-UHFFFAOYSA-N
XLogP1.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 171691592
morpholin-4-yl-(1-quinolin-2-ylazetidin-3-yl)methanone
CID 163353117
2,2-dimethyl-1-(4-quinolin-2-ylpiperazin-1-yl)propan-1-one
CID 108741550
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
ethyl 4-quinolin-2-ylpiperazine-1-carboxylate
CID 670873
2-amino-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 3063580
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
pyrrolidin-1-yl-[1-(1-quinolin-2-ylpiperidin-4-yl)piperidin-3-yl]methanone
CID 56868951
(5-methyl-1-quinolin-2-ylpyrazol-4-yl)-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108810887
N-(1-quinolin-2-ylpiperidin-4-yl)cyclohexanecarboxamide
CID 133276967

Frequently Asked Questions

What is the IUPAC name of [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone (CID 167768729) is [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone is CNC1CC(C(=O)N2CCN(c3ccc4ccccc4n3)CC2)C1.
What is the InChIKey of [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone?
The InChIKey is OUDDWYKBAURSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-20-16-12-15(13-16)19(24)23-10-8-22(9-11-23)18-7-6-14-4-2-3-5-17(14)21-18/h2-7,15-16,20H,8-13H2,1H3.
What are the key properties of [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone?
[3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone has a molecular weight of 324.43 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylamino)cyclobutyl]-(4-quinolin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 167768729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).