1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one

C23H26N4O2 — CID 162644387

IUPAC1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCOc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1
InChIInChI=1S/C23H26N4O2/c1-29-22-17-19(10-12-25-22)26-13-15-27(16-14-26)23(28)9-3-6-18-5-2-8-21-20(18)7-4-11-24-21/h2,4-5,7-8,10-12,17H,3,6,9,13-16H2,1H3
InChIKeyBVLMFBXHZIMJQC-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.31
Rot. Bonds6

About 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one

1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (PubChem CID 162644387) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
PubChem CID162644387
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one
SMILESCOc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1
InChIInChI=1S/C23H26N4O2/c1-29-22-17-19(10-12-25-22)26-13-15-27(16-14-26)23(28)9-3-6-18-5-2-8-21-20(18)7-4-11-24-21/h2,4-5,7-8,10-12,17H,3,6,9,13-16H2,1H3
InChIKeyBVLMFBXHZIMJQC-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The IUPAC name of 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one (CID 162644387) is 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one.
What is the SMILES notation for 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The canonical SMILES for 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is COc1cc(N2CCN(C(=O)CCCc3cccc4ncccc34)CC2)ccn1.
What is the InChIKey of 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
The InChIKey is BVLMFBXHZIMJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-22-17-19(10-12-25-22)26-13-15-27(16-14-26)23(28)9-3-6-18-5-2-8-21-20(18)7-4-11-24-21/h2,4-5,7-8,10-12,17H,3,6,9,13-16H2,1H3.
What are the key properties of 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one?
1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one has a molecular weight of 390.49 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxy-4-pyridinyl)piperazin-1-yl]-4-quinolin-5-ylbutan-1-one is sourced from PubChem (CID 162644387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).