1-methyl-5-piperazin-1-ylquinolin-2-one

C14H17N3O — CID 82279962

IUPAC1-methyl-5-piperazin-1-ylquinolin-2-one
SMILESCn1c(=O)ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C14H17N3O/c1-16-12-3-2-4-13(11(12)5-6-14(16)18)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
InChIKeyRWMPFXGSIFULNW-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.95
Rot. Bonds1

About 1-methyl-5-piperazin-1-ylquinolin-2-one

1-methyl-5-piperazin-1-ylquinolin-2-one (PubChem CID 82279962) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-methyl-5-piperazin-1-ylquinolin-2-one.

Molecular Properties

Compound Name1-methyl-5-piperazin-1-ylquinolin-2-one
PubChem CID82279962
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-methyl-5-piperazin-1-ylquinolin-2-one
SMILESCn1c(=O)ccc2c(N3CCNCC3)cccc21
InChIInChI=1S/C14H17N3O/c1-16-12-3-2-4-13(11(12)5-6-14(16)18)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3
InChIKeyRWMPFXGSIFULNW-UHFFFAOYSA-N
XLogP0.95
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-piperazin-1-ylquinolin-2-one?
The IUPAC name of 1-methyl-5-piperazin-1-ylquinolin-2-one (CID 82279962) is 1-methyl-5-piperazin-1-ylquinolin-2-one.
What is the SMILES notation for 1-methyl-5-piperazin-1-ylquinolin-2-one?
The canonical SMILES for 1-methyl-5-piperazin-1-ylquinolin-2-one is Cn1c(=O)ccc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-methyl-5-piperazin-1-ylquinolin-2-one?
The InChIKey is RWMPFXGSIFULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-12-3-2-4-13(11(12)5-6-14(16)18)17-9-7-15-8-10-17/h2-6,15H,7-10H2,1H3.
What are the key properties of 1-methyl-5-piperazin-1-ylquinolin-2-one?
1-methyl-5-piperazin-1-ylquinolin-2-one has a molecular weight of 243.31 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-piperazin-1-ylquinolin-2-one is sourced from PubChem (CID 82279962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).