1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one

C16H22N4O — CID 81243681

IUPAC1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one
SMILESCn1c(=O)cc(NCCN2CCNCC2)c2ccccc21
InChIInChI=1S/C16H22N4O/c1-19-15-5-3-2-4-13(15)14(12-16(19)21)18-8-11-20-9-6-17-7-10-20/h2-5,12,17-18H,6-11H2,1H3
InChIKeyDUKXNQYDPNNOPU-UHFFFAOYSA-N
MW286.38 g/mol
LogP0.86
Rot. Bonds4

About 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one

1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one (PubChem CID 81243681) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one.

Molecular Properties

Compound Name1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one
PubChem CID81243681
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one
SMILESCn1c(=O)cc(NCCN2CCNCC2)c2ccccc21
InChIInChI=1S/C16H22N4O/c1-19-15-5-3-2-4-13(15)14(12-16(19)21)18-8-11-20-9-6-17-7-10-20/h2-5,12,17-18H,6-11H2,1H3
InChIKeyDUKXNQYDPNNOPU-UHFFFAOYSA-N
XLogP0.86
TPSA49.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one?
The IUPAC name of 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one (CID 81243681) is 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one.
What is the SMILES notation for 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one?
The canonical SMILES for 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one is Cn1c(=O)cc(NCCN2CCNCC2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one?
The InChIKey is DUKXNQYDPNNOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-15-5-3-2-4-13(15)14(12-16(19)21)18-8-11-20-9-6-17-7-10-20/h2-5,12,17-18H,6-11H2,1H3.
What are the key properties of 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one?
1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one has a molecular weight of 286.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-piperazin-1-ylethylamino)quinolin-2-one is sourced from PubChem (CID 81243681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).