4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one

C15H17ClN4O — CID 66580191

IUPAC4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one
SMILESCC(N)c1cc2cccc(Cl)c2nc1N1CCNC(=O)C1
InChIInChI=1S/C15H17ClN4O/c1-9(17)11-7-10-3-2-4-12(16)14(10)19-15(11)20-6-5-18-13(21)8-20/h2-4,7,9H,5-6,8,17H2,1H3,(H,18,21)
InChIKeyVSXXPQBXMCVCJL-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.84
Rot. Bonds2

About 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one

4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one (PubChem CID 66580191) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one
PubChem CID66580191
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one
SMILESCC(N)c1cc2cccc(Cl)c2nc1N1CCNC(=O)C1
InChIInChI=1S/C15H17ClN4O/c1-9(17)11-7-10-3-2-4-12(16)14(10)19-15(11)20-6-5-18-13(21)8-20/h2-4,7,9H,5-6,8,17H2,1H3,(H,18,21)
InChIKeyVSXXPQBXMCVCJL-UHFFFAOYSA-N
XLogP1.84
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one?
The IUPAC name of 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one (CID 66580191) is 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one.
What is the SMILES notation for 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one?
The canonical SMILES for 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one is CC(N)c1cc2cccc(Cl)c2nc1N1CCNC(=O)C1.
What is the InChIKey of 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one?
The InChIKey is VSXXPQBXMCVCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-9(17)11-7-10-3-2-4-12(16)14(10)19-15(11)20-6-5-18-13(21)8-20/h2-4,7,9H,5-6,8,17H2,1H3,(H,18,21).
What are the key properties of 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one?
4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one has a molecular weight of 304.78 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)-8-chloroquinolin-2-yl]piperazin-2-one is sourced from PubChem (CID 66580191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).