2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline

C25H24FN5O — CID 24733435

IUPAC2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline
SMILESFc1ccc(OCCN2CCN(c3ccc4cccc(-c5cncnc5)c4n3)CC2)cc1
InChIInChI=1S/C25H24FN5O/c26-21-5-7-22(8-6-21)32-15-14-30-10-12-31(13-11-30)24-9-4-19-2-1-3-23(25(19)29-24)20-16-27-18-28-17-20/h1-9,16-18H,10-15H2
InChIKeyFAUSVEZGNJVXPL-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.03
Rot. Bonds6

About 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline

2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline (PubChem CID 24733435) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline
PubChem CID24733435
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline
SMILESFc1ccc(OCCN2CCN(c3ccc4cccc(-c5cncnc5)c4n3)CC2)cc1
InChIInChI=1S/C25H24FN5O/c26-21-5-7-22(8-6-21)32-15-14-30-10-12-31(13-11-30)24-9-4-19-2-1-3-23(25(19)29-24)20-16-27-18-28-17-20/h1-9,16-18H,10-15H2
InChIKeyFAUSVEZGNJVXPL-UHFFFAOYSA-N
XLogP4.03
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline?
The IUPAC name of 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline (CID 24733435) is 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline.
What is the SMILES notation for 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline?
The canonical SMILES for 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline is Fc1ccc(OCCN2CCN(c3ccc4cccc(-c5cncnc5)c4n3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline?
The InChIKey is FAUSVEZGNJVXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c26-21-5-7-22(8-6-21)32-15-14-30-10-12-31(13-11-30)24-9-4-19-2-1-3-23(25(19)29-24)20-16-27-18-28-17-20/h1-9,16-18H,10-15H2.
What are the key properties of 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline?
2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline has a molecular weight of 429.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]-8-pyrimidin-5-ylquinoline is sourced from PubChem (CID 24733435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).