4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline

C25H24N4O — CID 73353356

IUPAC4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
SMILESCOc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N4O/c1-30-20-11-9-19(10-12-20)28-14-16-29(17-15-28)25-18-24(23-8-4-5-13-26-23)27-22-7-3-2-6-21(22)25/h2-13,18H,14-17H2,1H3
InChIKeyJSKOBBAIXHUWTC-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.63
Rot. Bonds4

About 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline

4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline (PubChem CID 73353356) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
PubChem CID73353356
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline
SMILESCOc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1
InChIInChI=1S/C25H24N4O/c1-30-20-11-9-19(10-12-20)28-14-16-29(17-15-28)25-18-24(23-8-4-5-13-26-23)27-22-7-3-2-6-21(22)25/h2-13,18H,14-17H2,1H3
InChIKeyJSKOBBAIXHUWTC-UHFFFAOYSA-N
XLogP4.63
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline (CID 73353356) is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline is COc1ccc(N2CCN(c3cc(-c4ccccn4)nc4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline?
The InChIKey is JSKOBBAIXHUWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-30-20-11-9-19(10-12-20)28-14-16-29(17-15-28)25-18-24(23-8-4-5-13-26-23)27-22-7-3-2-6-21(22)25/h2-13,18H,14-17H2,1H3.
What are the key properties of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline?
4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline has a molecular weight of 396.49 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridin-2-ylquinoline is sourced from PubChem (CID 73353356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).