[2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

C22H22N2O2 — CID 757764

IUPAC[2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-26-17-11-9-16(10-12-17)21-15-19(22(25)24-13-5-6-14-24)18-7-3-4-8-20(18)23-21/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKeyDQXSPZPGYSAEQG-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.54
Rot. Bonds4

About [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

[2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 757764) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID757764
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name[2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-26-17-11-9-16(10-12-17)21-15-19(22(25)24-13-5-6-14-24)18-7-3-4-8-20(18)23-21/h3-4,7-12,15H,2,5-6,13-14H2,1H3
InChIKeyDQXSPZPGYSAEQG-UHFFFAOYSA-N
XLogP4.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 757764) is [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is CCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DQXSPZPGYSAEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-26-17-11-9-16(10-12-17)21-15-19(22(25)24-13-5-6-14-24)18-7-3-4-8-20(18)23-21/h3-4,7-12,15H,2,5-6,13-14H2,1H3.
What are the key properties of [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 346.43 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 757764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).