4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde

C21H20N4O4 — CID 139375948

IUPAC4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(ONOc3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C21H20N4O4/c26-15-24-11-13-25(14-12-24)21(27)17-6-8-18(9-7-17)28-23-29-19-5-1-3-16-4-2-10-22-20(16)19/h1-10,15,23H,11-14H2
InChIKeyUQRXWOGHNVFTCG-UHFFFAOYSA-N
MW392.42 g/mol
LogP2.03
Rot. Bonds6

About 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde

4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde (PubChem CID 139375948) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde
PubChem CID139375948
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccc(ONOc3cccc4cccnc34)cc2)CC1
InChIInChI=1S/C21H20N4O4/c26-15-24-11-13-25(14-12-24)21(27)17-6-8-18(9-7-17)28-23-29-19-5-1-3-16-4-2-10-22-20(16)19/h1-10,15,23H,11-14H2
InChIKeyUQRXWOGHNVFTCG-UHFFFAOYSA-N
XLogP2.03
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(quinolin-8-yloxyamino)oxybenzaldehyde
CID 139375702
4-(2-quinolin-8-yloxyacetyl)piperazine-1-carbaldehyde
CID 110850159
3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
CID 109053846
(4-methoxyphenyl)-(4-quinolin-8-ylpiperazin-1-yl)methanone
CID 113079735
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
4-quinolin-8-yloxybenzoic acid
CID 28825287
4-[4-(pyrrolidine-1-carbonyl)benzoyl]piperazine-1-carbaldehyde
CID 109044219
4-(3,4-dimethoxybenzoyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 55695804
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270
[4-(pyridine-4-carbonyl)piperazin-1-yl]-[4-(quinolin-8-ylsulfanylamino)phenyl]methanone
CID 134545155
(4-phenylphenyl)-[4-(quinolin-8-ylmethyl)piperazin-1-yl]methanone
CID 16609697
4-(4-iodobenzoyl)piperazine-1-carbaldehyde
CID 875264

Frequently Asked Questions

What is the IUPAC name of 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde (CID 139375948) is 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccc(ONOc3cccc4cccnc34)cc2)CC1.
What is the InChIKey of 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde?
The InChIKey is UQRXWOGHNVFTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c26-15-24-11-13-25(14-12-24)21(27)17-6-8-18(9-7-17)28-23-29-19-5-1-3-16-4-2-10-22-20(16)19/h1-10,15,23H,11-14H2.
What are the key properties of 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde?
4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde has a molecular weight of 392.42 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(quinolin-8-yloxyamino)oxybenzoyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 139375948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).