4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde

C16H17N3O3 — CID 110850159

IUPAC4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)COc2cccc3cccnc23)CC1
InChIInChI=1S/C16H17N3O3/c20-12-18-7-9-19(10-8-18)15(21)11-22-14-5-1-3-13-4-2-6-17-16(13)14/h1-6,12H,7-11H2
InChIKeyVQAQJILYUYDETN-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.91
Rot. Bonds4

About 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde

4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde (PubChem CID 110850159) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
PubChem CID110850159
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)COc2cccc3cccnc23)CC1
InChIInChI=1S/C16H17N3O3/c20-12-18-7-9-19(10-8-18)15(21)11-22-14-5-1-3-13-4-2-6-17-16(13)14/h1-6,12H,7-11H2
InChIKeyVQAQJILYUYDETN-UHFFFAOYSA-N
XLogP0.91
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.91
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

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110855024
1-(4-ethylpiperazin-1-yl)-2-quinolin-8-yloxyethanone
CID 110849960
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 9154776
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinolin-8-yloxyethanone
CID 99838467
1-(2,3-dihydroindol-1-yl)-2-quinolin-8-yloxyethanone
CID 757469
4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde
CID 139375948
2-quinolin-8-yloxyacetate
CID 6950984
4-[2-(2,6-dichlorophenoxy)acetyl]piperazine-1-carbaldehyde
CID 3424511
1-(6-propan-2-yl-1,4-oxazepan-4-yl)-2-quinolin-8-yloxyethanone
CID 166284147
2-(5-chloroquinolin-8-yl)oxy-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]ethanone
CID 55843773
3-(2-oxo-2-piperidin-1-ylethoxy)pyridine-2-carboxylic acid
CID 61380056
1-morpholin-4-yl-2-naphthalen-1-yloxyethanone
CID 954548

Frequently Asked Questions

What is the IUPAC name of 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde (CID 110850159) is 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)COc2cccc3cccnc23)CC1.
What is the InChIKey of 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde?
The InChIKey is VQAQJILYUYDETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-12-18-7-9-19(10-8-18)15(21)11-22-14-5-1-3-13-4-2-6-17-16(13)14/h1-6,12H,7-11H2.
What are the key properties of 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde?
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde has a molecular weight of 299.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 110850159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).