1-butyl-6-piperazin-1-ylquinolin-2-one

C17H23N3O — CID 117099735

IUPAC1-butyl-6-piperazin-1-ylquinolin-2-one
SMILESCCCCn1c(=O)ccc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C17H23N3O/c1-2-3-10-20-16-6-5-15(19-11-8-18-9-12-19)13-14(16)4-7-17(20)21/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyTXYUXKRBYNHHMD-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.21
Rot. Bonds4

About 1-butyl-6-piperazin-1-ylquinolin-2-one

1-butyl-6-piperazin-1-ylquinolin-2-one (PubChem CID 117099735) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-butyl-6-piperazin-1-ylquinolin-2-one.

Molecular Properties

Compound Name1-butyl-6-piperazin-1-ylquinolin-2-one
PubChem CID117099735
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-butyl-6-piperazin-1-ylquinolin-2-one
SMILESCCCCn1c(=O)ccc2cc(N3CCNCC3)ccc21
InChIInChI=1S/C17H23N3O/c1-2-3-10-20-16-6-5-15(19-11-8-18-9-12-19)13-14(16)4-7-17(20)21/h4-7,13,18H,2-3,8-12H2,1H3
InChIKeyTXYUXKRBYNHHMD-UHFFFAOYSA-N
XLogP2.21
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxypropyl)-6-piperazin-1-ylquinolin-2-one
CID 117099745
1-butyl-6-hydroxyquinolin-2-one
CID 140970641
2-(2-oxo-6-piperazin-1-ylquinolin-1-yl)propanamide
CID 117099754
4-(1-butyl-2-methylindol-5-yl)morpholine
CID 57179442
6-methyl-1-propylquinolin-2-one
CID 122456070
1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
CID 10473020
5-piperazin-1-yl-1-propyl-3H-indol-2-one
CID 117099888
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
CID 159731714
2-ethyl-5-piperazin-1-ylisoindole-1,3-dione
CID 117006287
1-(4-hexoxy-3-methylphenyl)piperazine
CID 63214255
1-(2-ethyl-1-benzofuran-6-yl)piperazine
CID 84726276
1-ethyl-5-piperazin-1-ylbenzotriazole
CID 84726445

Frequently Asked Questions

What is the IUPAC name of 1-butyl-6-piperazin-1-ylquinolin-2-one?
The IUPAC name of 1-butyl-6-piperazin-1-ylquinolin-2-one (CID 117099735) is 1-butyl-6-piperazin-1-ylquinolin-2-one.
What is the SMILES notation for 1-butyl-6-piperazin-1-ylquinolin-2-one?
The canonical SMILES for 1-butyl-6-piperazin-1-ylquinolin-2-one is CCCCn1c(=O)ccc2cc(N3CCNCC3)ccc21.
What is the InChIKey of 1-butyl-6-piperazin-1-ylquinolin-2-one?
The InChIKey is TXYUXKRBYNHHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-3-10-20-16-6-5-15(19-11-8-18-9-12-19)13-14(16)4-7-17(20)21/h4-7,13,18H,2-3,8-12H2,1H3.
What are the key properties of 1-butyl-6-piperazin-1-ylquinolin-2-one?
1-butyl-6-piperazin-1-ylquinolin-2-one has a molecular weight of 285.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-6-piperazin-1-ylquinolin-2-one is sourced from PubChem (CID 117099735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).