3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide

C22H20N4O3 — CID 109053846

IUPAC3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C22H20N4O3/c27-15-25-10-12-26(13-11-25)22(29)18-6-1-5-17(14-18)21(28)24-19-8-2-4-16-7-3-9-23-20(16)19/h1-9,14-15H,10-13H2,(H,24,28)
InChIKeyZAJMZRDVAVJVKZ-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.40
Rot. Bonds4

About 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide

3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide (PubChem CID 109053846) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide.

Molecular Properties

Compound Name3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
PubChem CID109053846
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide
SMILESO=CN1CCN(C(=O)c2cccc(C(=O)Nc3cccc4cccnc34)c2)CC1
InChIInChI=1S/C22H20N4O3/c27-15-25-10-12-26(13-11-25)22(29)18-6-1-5-17(14-18)21(28)24-19-8-2-4-16-7-3-9-23-20(16)19/h1-9,14-15H,10-13H2,(H,24,28)
InChIKeyZAJMZRDVAVJVKZ-UHFFFAOYSA-N
XLogP2.40
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053802
N-(3-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053818
4-(4-formylpiperazin-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109208986
2-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109084621
5-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109104633
3-(4-formylpiperazine-1-carbonyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 109053853
3-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)benzamide
CID 109053830
5-(4-methylpiperidine-1-carbonyl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109103274
N-(4-chloro-2-methylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053820
N-(4-fluorophenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053814
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
N-(4-acetylphenyl)-3-(4-formylpiperazine-1-carbonyl)benzamide
CID 109053836

Frequently Asked Questions

What is the IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide?
The IUPAC name of 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide (CID 109053846) is 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide.
What is the SMILES notation for 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide?
The canonical SMILES for 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide is O=CN1CCN(C(=O)c2cccc(C(=O)Nc3cccc4cccnc34)c2)CC1.
What is the InChIKey of 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide?
The InChIKey is ZAJMZRDVAVJVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-15-25-10-12-26(13-11-25)22(29)18-6-1-5-17(14-18)21(28)24-19-8-2-4-16-7-3-9-23-20(16)19/h1-9,14-15H,10-13H2,(H,24,28).
What are the key properties of 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide?
3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide has a molecular weight of 388.43 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-formylpiperazine-1-carbonyl)-N-quinolin-8-ylbenzamide is sourced from PubChem (CID 109053846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).