8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde

C22H23N3O — CID 20983069

IUPAC8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde
SMILESCCc1cccc2cc(C=O)c(N3CCN(c4ccccc4)CC3)nc12
InChIInChI=1S/C22H23N3O/c1-2-17-7-6-8-18-15-19(16-26)22(23-21(17)18)25-13-11-24(12-14-25)20-9-4-3-5-10-20/h3-10,15-16H,2,11-14H2,1H3
InChIKeyMGIXMJOPBIMESW-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.94
Rot. Bonds4

About 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde

8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde (PubChem CID 20983069) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde.

Molecular Properties

Compound Name8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde
PubChem CID20983069
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde
SMILESCCc1cccc2cc(C=O)c(N3CCN(c4ccccc4)CC3)nc12
InChIInChI=1S/C22H23N3O/c1-2-17-7-6-8-18-15-19(16-26)22(23-21(17)18)25-13-11-24(12-14-25)20-9-4-3-5-10-20/h3-10,15-16H,2,11-14H2,1H3
InChIKeyMGIXMJOPBIMESW-UHFFFAOYSA-N
XLogP3.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-bromo-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde
CID 20983196
8-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983156
5,8-diethyl-1,3-diphenyl-2H-imidazo[4,5-b]quinoxaline
CID 140806408
1-(4-phenylpiperazin-1-yl)-2-quinolin-8-ylethanone
CID 51320584
5-chloro-2-(4-phenylpiperazin-1-yl)benzaldehyde
CID 114843841
2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
4-(3-ethyl-2-pyridinyl)piperazine-1-carbaldehyde
CID 177170624
3,8-diethylquinolin-2-amine
CID 17039687
2-(2,6-diethylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002140
9-ethyl-6-(4-phenylpiperazin-1-yl)purine
CID 155980574
3,8-diethylquinolin-2-amine;hydrochloride
CID 43866005
2-chloro-6-ethyl-4-(4-phenylpiperazin-1-yl)aniline
CID 91671961

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde?
The IUPAC name of 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde (CID 20983069) is 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde.
What is the SMILES notation for 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde?
The canonical SMILES for 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde is CCc1cccc2cc(C=O)c(N3CCN(c4ccccc4)CC3)nc12.
What is the InChIKey of 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde?
The InChIKey is MGIXMJOPBIMESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-17-7-6-8-18-15-19(16-26)22(23-21(17)18)25-13-11-24(12-14-25)20-9-4-3-5-10-20/h3-10,15-16H,2,11-14H2,1H3.
What are the key properties of 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde?
8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde has a molecular weight of 345.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-(4-phenylpiperazin-1-yl)quinoline-3-carbaldehyde is sourced from PubChem (CID 20983069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).