4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde

C15H18N2O2 — CID 22945734

IUPAC4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(C2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C15H18N2O2/c18-10-17-7-5-11(6-8-17)13-9-12-3-1-2-4-14(12)16-15(13)19/h1-4,10-11,13H,5-9H2,(H,16,19)
InChIKeyDHQFTPVKYATULY-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.67
Rot. Bonds2

About 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde

4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde (PubChem CID 22945734) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde.

Molecular Properties

Compound Name4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde
PubChem CID22945734
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde
SMILESO=CN1CCC(C2Cc3ccccc3NC2=O)CC1
InChIInChI=1S/C15H18N2O2/c18-10-17-7-5-11(6-8-17)13-9-12-3-1-2-4-14(12)16-15(13)19/h1-4,10-11,13H,5-9H2,(H,16,19)
InChIKeyDHQFTPVKYATULY-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
The IUPAC name of 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde (CID 22945734) is 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde.
What is the SMILES notation for 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
The canonical SMILES for 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde is O=CN1CCC(C2Cc3ccccc3NC2=O)CC1.
What is the InChIKey of 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
The InChIKey is DHQFTPVKYATULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-10-17-7-5-11(6-8-17)13-9-12-3-1-2-4-14(12)16-15(13)19/h1-4,10-11,13H,5-9H2,(H,16,19).
What are the key properties of 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde?
4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde has a molecular weight of 258.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 22945734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).