2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline

C24H32N4O — CID 154830028

IUPAC2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline
SMILESCCN1CCN(CC#CCOC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C24H32N4O/c1-2-26-16-18-27(19-17-26)13-5-6-20-29-22-11-14-28(15-12-22)24-10-9-21-7-3-4-8-23(21)25-24/h3-4,7-10,22H,2,11-20H2,1H3
InChIKeyQDQICYKVIQINPY-UHFFFAOYSA-N
MW392.55 g/mol
LogP2.86
Rot. Bonds5

About 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline

2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline (PubChem CID 154830028) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline.

Molecular Properties

Compound Name2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline
PubChem CID154830028
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline
SMILESCCN1CCN(CC#CCOC2CCN(c3ccc4ccccc4n3)CC2)CC1
InChIInChI=1S/C24H32N4O/c1-2-26-16-18-27(19-17-26)13-5-6-20-29-22-11-14-28(15-12-22)24-10-9-21-7-3-4-8-23(21)25-24/h3-4,7-10,22H,2,11-20H2,1H3
InChIKeyQDQICYKVIQINPY-UHFFFAOYSA-N
XLogP2.86
TPSA31.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline-4-carbonitrile
CID 154830062
5-chloro-2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 154830489
2-methyl-3-[4-[4-(4-propan-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoxaline
CID 154853728
4-methyl-2-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-1,3-thiazole
CID 155976206
4,5-dimethyl-6-[4-[4-(4-phenylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyrimidine
CID 155976322
4-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 155976485
N-(cyclopropylmethyl)-1-quinolin-2-ylpiperidin-4-amine
CID 115307554
3-[4-[4-(4-pyridin-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 155981598
2-[4-[4-(4-propan-2-ylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyridine-4-carbonitrile
CID 154575635
N-(1-ethylpiperidin-4-yl)quinolin-2-amine
CID 60666937
2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]quinoline
CID 133445520
3-[4-[4-(4-phenylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]pyridine-2-carbonitrile
CID 146074633

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline?
The IUPAC name of 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline (CID 154830028) is 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline.
What is the SMILES notation for 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline?
The canonical SMILES for 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline is CCN1CCN(CC#CCOC2CCN(c3ccc4ccccc4n3)CC2)CC1.
What is the InChIKey of 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline?
The InChIKey is QDQICYKVIQINPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-2-26-16-18-27(19-17-26)13-5-6-20-29-22-11-14-28(15-12-22)24-10-9-21-7-3-4-8-23(21)25-24/h3-4,7-10,22H,2,11-20H2,1H3.
What are the key properties of 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline?
2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline has a molecular weight of 392.55 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethylpiperazin-1-yl)but-2-ynoxy]piperidin-1-yl]quinoline is sourced from PubChem (CID 154830028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).