[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone

C25H29N3O2 — CID 131893621

IUPAC[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(C)c(C)nc3ccc(C)cc23)CC1
InChIInChI=1S/C25H29N3O2/c1-5-30-23-9-7-6-8-22(23)27-12-14-28(15-13-27)25(29)24-18(3)19(4)26-21-11-10-17(2)16-20(21)24/h6-11,16H,5,12-15H2,1-4H3
InChIKeyKUBBXIOCPXUPLB-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.52
Rot. Bonds4

About [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone

[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone (PubChem CID 131893621) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone
PubChem CID131893621
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone
SMILESCCOc1ccccc1N1CCN(C(=O)c2c(C)c(C)nc3ccc(C)cc23)CC1
InChIInChI=1S/C25H29N3O2/c1-5-30-23-9-7-6-8-22(23)27-12-14-28(15-13-27)25(29)24-18(3)19(4)26-21-11-10-17(2)16-20(21)24/h6-11,16H,5,12-15H2,1-4H3
InChIKeyKUBBXIOCPXUPLB-UHFFFAOYSA-N
XLogP4.52
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone with MolForge

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Related Compounds

(2,4-dimethylphenyl)-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 9415517
1,3-dihydroisoindol-2-yl-(2,3,6-trimethylquinolin-4-yl)methanone
CID 72873941
[4-[4-(2-ethoxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 9415493
[4-(2-ethoxyphenyl)piperazin-1-yl]-quinoxalin-6-ylmethanone
CID 9415301
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046466
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867
[4-(2-ethoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38414706
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-methyl-1-benzothiophen-2-yl)methanone
CID 8966514
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 752975
[4-(2-ethoxyphenyl)piperazin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 35514407
[4-(2-ethoxyphenyl)piperazin-1-yl]-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 3651185
[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 [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone?
The IUPAC name of [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone (CID 131893621) is [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone?
The canonical SMILES for [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone is CCOc1ccccc1N1CCN(C(=O)c2c(C)c(C)nc3ccc(C)cc23)CC1.
What is the InChIKey of [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone?
The InChIKey is KUBBXIOCPXUPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-5-30-23-9-7-6-8-22(23)27-12-14-28(15-13-27)25(29)24-18(3)19(4)26-21-11-10-17(2)16-20(21)24/h6-11,16H,5,12-15H2,1-4H3.
What are the key properties of [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone?
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone has a molecular weight of 403.53 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxyphenyl)piperazin-1-yl]-(2,3,6-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 131893621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).