4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde

C22H22N2O3 — CID 19030828

IUPAC4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
SMILESO=Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H22N2O3/c25-15-16-5-7-18(8-6-16)22(27)23-13-11-19(12-14-23)24-20-4-2-1-3-17(20)9-10-21(24)26/h1-8,15,19H,9-14H2
InChIKeyZUMOVELOTOEKLW-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.08
Rot. Bonds3

About 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde

4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde (PubChem CID 19030828) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde.

Molecular Properties

Compound Name4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
PubChem CID19030828
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde
SMILESO=Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1
InChIInChI=1S/C22H22N2O3/c25-15-16-5-7-18(8-6-16)22(27)23-13-11-19(12-14-23)24-20-4-2-1-3-17(20)9-10-21(24)26/h1-8,15,19H,9-14H2
InChIKeyZUMOVELOTOEKLW-UHFFFAOYSA-N
XLogP3.08
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]benzaldehyde
CID 86180170
1-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10642420
1-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10621180
[3-acetyloxy-5-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenyl] acetate
CID 10694843
N-[2-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]ethyl]acetamide
CID 14969551
1-[1-(3-nitrobenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 14969519
1-[1-[4-[7-(diethylamino)heptoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19030830
1-[1-[4-(5-pyrrolidin-1-ylpentylsulfanyl)benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19090016
2-acetamido-4-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]butanoic acid
CID 15285178
1-[1-[4-[8-(diethylamino)-7-hydroxyoctoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 19031021
4-hydroxy-1-[1-(4-hydroxybenzoyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 10666579
2-acetamido-N-[3-[4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]pentanamide
CID 19031213

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde?
The IUPAC name of 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde (CID 19030828) is 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde.
What is the SMILES notation for 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde?
The canonical SMILES for 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde is O=Cc1ccc(C(=O)N2CCC(N3C(=O)CCc4ccccc43)CC2)cc1.
What is the InChIKey of 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde?
The InChIKey is ZUMOVELOTOEKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-15-16-5-7-18(8-6-16)22(27)23-13-11-19(12-14-23)24-20-4-2-1-3-17(20)9-10-21(24)26/h1-8,15,19H,9-14H2.
What are the key properties of 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde?
4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde has a molecular weight of 362.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]benzaldehyde is sourced from PubChem (CID 19030828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).