1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione

C14H12ClN3O2 — CID 116785711

IUPAC1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(c2ccc(Cl)c3cccnc23)C1=O
InChIInChI=1S/C14H12ClN3O2/c1-8-14(20)18(7-12(19)17-8)11-5-4-10(15)9-3-2-6-16-13(9)11/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyGZRZAUGMIZRWKI-UHFFFAOYSA-N
MW289.72 g/mol
LogP1.74
Rot. Bonds1

About 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione

1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione (PubChem CID 116785711) has the molecular formula C14H12ClN3O2 and a molecular weight of 289.72 g/mol. Its IUPAC name is 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione
PubChem CID116785711
Molecular FormulaC14H12ClN3O2
Molecular Weight289.72 g/mol
Exact Mass289.06
IUPAC Name1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione
SMILESCC1NC(=O)CN(c2ccc(Cl)c3cccnc23)C1=O
InChIInChI=1S/C14H12ClN3O2/c1-8-14(20)18(7-12(19)17-8)11-5-4-10(15)9-3-2-6-16-13(9)11/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyGZRZAUGMIZRWKI-UHFFFAOYSA-N
XLogP1.74
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-chloroquinolin-8-yl)piperidin-2-one
CID 116785599
1-(5-chloroquinolin-8-yl)-3-(methylamino)piperidin-2-one
CID 116785595
1-(5-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 116783155
1-(5-bromo-2-chlorophenyl)-3-methylpiperazine-2,5-dione
CID 64970237
4-(5-chloroquinolin-8-yl)azetidin-2-one
CID 112618582
1-(5-chloroquinolin-8-yl)-N,2,3-trimethylpiperidin-4-amine
CID 116784923
5-chloro-8-(2-ethyl-5,5-dimethylpiperazin-1-yl)quinoline
CID 116785639
tris(5-chloroquinolin-8-yl)alumane
CID 151822878
1-(3-chloro-4-fluorophenyl)-3-methylpiperazine-2,5-dione
CID 64962916
4-(5-aminoquinolin-8-yl)-3-ethylpiperazine-2,6-dione
CID 66068288
1-(1,3-dimethylpyrazol-4-yl)-3-methylpiperazine-2,5-dione
CID 102807608
1-(4-bromo-2-ethylphenyl)-3-methylpiperazine-2,5-dione
CID 81290854

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione?
The IUPAC name of 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione (CID 116785711) is 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione is CC1NC(=O)CN(c2ccc(Cl)c3cccnc23)C1=O.
What is the InChIKey of 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione?
The InChIKey is GZRZAUGMIZRWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2/c1-8-14(20)18(7-12(19)17-8)11-5-4-10(15)9-3-2-6-16-13(9)11/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione?
1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione has a molecular weight of 289.72 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroquinolin-8-yl)-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 116785711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).