[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C29H29N3O2 — CID 3554779

IUPAC[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C29H29N3O2/c1-3-21-12-14-22(15-13-21)26-20-24(23-8-4-5-9-25(23)30-26)29(33)32-18-16-31(17-19-32)27-10-6-7-11-28(27)34-2/h4-15,20H,3,16-19H2,1-2H3
InChIKeyZRSUSJIMUHFHSO-UHFFFAOYSA-N
MW451.57 g/mol
LogP5.44
Rot. Bonds5

About [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 3554779) has the molecular formula C29H29N3O2 and a molecular weight of 451.57 g/mol. Its IUPAC name is [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID3554779
Molecular FormulaC29H29N3O2
Molecular Weight451.57 g/mol
Exact Mass451.23
IUPAC Name[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3n2)cc1
InChIInChI=1S/C29H29N3O2/c1-3-21-12-14-22(15-13-21)26-20-24(23-8-4-5-9-25(23)30-26)29(33)32-18-16-31(17-19-32)27-10-6-7-11-28(27)34-2/h4-15,20H,3,16-19H2,1-2H3
InChIKeyZRSUSJIMUHFHSO-UHFFFAOYSA-N
XLogP5.44
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.57
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 1022888
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4259485
[2-(3-methoxyphenyl)-6-methylquinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4244399
[2-(4-butoxyphenyl)quinolin-4-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 5093684
[2-(4-propylphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
CID 2965693
[2-(4-ethylphenyl)quinolin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3532026
[6-bromo-2-(5-ethylthiophen-2-yl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4505849
(4-ethylpiperazin-1-yl)-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 4202012
[2-(4-ethylphenyl)-4-methyl-1,3-thiazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 26718598
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
[4-(4-chlorophenyl)piperazin-1-yl]-[2-(3,4-dimethoxyphenyl)quinolin-4-yl]methanone
CID 4535152
[2-(5-chlorothiophen-2-yl)quinolin-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 5055411

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 3554779) is [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is CCc1ccc(-c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc3n2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is ZRSUSJIMUHFHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O2/c1-3-21-12-14-22(15-13-21)26-20-24(23-8-4-5-9-25(23)30-26)29(33)32-18-16-31(17-19-32)27-10-6-7-11-28(27)34-2/h4-15,20H,3,16-19H2,1-2H3.
What are the key properties of [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 451.57 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)quinolin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3554779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).