[2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C27H26N4O2 — CID 3238892

IUPAC[2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H26N4O2/c1-2-33-21-12-10-20(11-13-21)25-19-23(22-7-3-4-8-24(22)29-25)27(32)31-17-15-30(16-18-31)26-9-5-6-14-28-26/h3-14,19H,2,15-18H2,1H3
InChIKeyXZLOCXAETCREOE-UHFFFAOYSA-N
MW438.53 g/mol
LogP4.66
Rot. Bonds5

About [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 3238892) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID3238892
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name[2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C27H26N4O2/c1-2-33-21-12-10-20(11-13-21)25-19-23(22-7-3-4-8-24(22)29-25)27(32)31-17-15-30(16-18-31)26-9-5-6-14-28-26/h3-14,19H,2,15-18H2,1H3
InChIKeyXZLOCXAETCREOE-UHFFFAOYSA-N
XLogP4.66
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 3238892) is [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is XZLOCXAETCREOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O2/c1-2-33-21-12-10-20(11-13-21)25-19-23(22-7-3-4-8-24(22)29-25)27(32)31-17-15-30(16-18-31)26-9-5-6-14-28-26/h3-14,19H,2,15-18H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 438.53 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)quinolin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 3238892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).