1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde

C15H15N3O3 — CID 103964899

IUPAC1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2c([N+](=O)[O-])cnc3ccccc23)C1
InChIInChI=1S/C15H15N3O3/c19-10-11-4-3-7-17(9-11)15-12-5-1-2-6-13(12)16-8-14(15)18(20)21/h1-2,5-6,8,10-11H,3-4,7,9H2
InChIKeyWUTLXNBOVBQIDG-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.56
Rot. Bonds3

About 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde

1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde (PubChem CID 103964899) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde
PubChem CID103964899
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde
SMILESO=CC1CCCN(c2c([N+](=O)[O-])cnc3ccccc23)C1
InChIInChI=1S/C15H15N3O3/c19-10-11-4-3-7-17(9-11)15-12-5-1-2-6-13(12)16-8-14(15)18(20)21/h1-2,5-6,8,10-11H,3-4,7,9H2
InChIKeyWUTLXNBOVBQIDG-UHFFFAOYSA-N
XLogP2.56
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-nitroquinolin-4-yl)pyrrolidine-3,4-diol
CID 106673427
3-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-ol
CID 114680956
1-(2,1-benzothiazol-3-yl)piperidine-3-carbaldehyde
CID 66353435
1-(5-bromo-3-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62664875
1-[5-nitro-2-(trifluoromethyl)-4-pyridinyl]piperidine-3-carbaldehyde
CID 106750152
1-(2-methyl-3-nitrophenyl)piperidine-3-carbaldehyde
CID 63076082
2-methyl-1-(3-nitroquinolin-4-yl)piperidin-4-amine
CID 103964815
2-(3-formylpiperidin-1-yl)quinoline-4-carbonitrile
CID 63883511
1-(3-methyl-5-nitro-2-pyridinyl)piperidine-3-carbaldehyde
CID 62663995
4-[(3S)-3-hydroxypiperidin-1-yl]quinoline-3-carbonitrile
CID 107225382
1-pyridin-2-ylpiperidine-3-carbaldehyde
CID 62664160
1-(3-nitroquinolin-4-yl)pyrrole-2-carbonitrile
CID 114653212

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde?
The IUPAC name of 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde (CID 103964899) is 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde.
What is the SMILES notation for 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde?
The canonical SMILES for 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde is O=CC1CCCN(c2c([N+](=O)[O-])cnc3ccccc23)C1.
What is the InChIKey of 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde?
The InChIKey is WUTLXNBOVBQIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-10-11-4-3-7-17(9-11)15-12-5-1-2-6-13(12)16-8-14(15)18(20)21/h1-2,5-6,8,10-11H,3-4,7,9H2.
What are the key properties of 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde?
1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde has a molecular weight of 285.30 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitroquinolin-4-yl)piperidine-3-carbaldehyde is sourced from PubChem (CID 103964899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).