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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Related Compounds

1-[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]ethanone
CID 91664415
4-[8-chloro-3-[1-[(2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]ethyl]quinolin-2-yl]piperazin-2-one
CID 67281457
[4-[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]piperazin-1-yl]-cyclopropylmethanone
CID 66776677
[8-chloro-2-(3-oxopiperazin-1-yl)quinolin-3-yl]methylcarbamic acid
CID 118893512
4-[4-[(1S)-1-aminoethyl]-2-chlorophenyl]piperazin-2-one
CID 78935671
4-[2-(1-aminoethyl)-6-fluorophenyl]piperazin-2-one
CID 114058608
8-chloro-3-methyl-2-piperazin-1-ylquinoline
CID 84638749
4-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)piperazin-2-one
CID 102762375
6-[1-[8-chloro-2-(1,1-dioxo-1,4-thiazinan-4-yl)quinolin-3-yl]ethyl]-1,3,5-triazine-2,4-diamine
CID 66777217
4-[3,5-dichloro-6-(methylamino)-2-pyridinyl]piperazin-2-one
CID 102755341
4-[7-fluoro-8-methyl-3-[(1S)-1-(pyrido[2,3-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperazin-2-one
CID 52938006
1-[[[3-[(1S)-1-aminoethyl]-8-chloroquinolin-2-yl]amino]methyl]cyclopropan-1-ol
CID 66822196

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).