2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde

C22H27N3O3 — CID 87966185

IUPAC2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde
SMILESCc1cc(COC2CCN(C3CCN(CC=O)C3=O)CC2)c2ccccc2n1
InChIInChI=1S/C22H27N3O3/c1-16-14-17(19-4-2-3-5-20(19)23-16)15-28-18-6-9-24(10-7-18)21-8-11-25(12-13-26)22(21)27/h2-5,13-14,18,21H,6-12,15H2,1H3
InChIKeyMSEAILOIMCGSBX-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.32
Rot. Bonds6

About 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde

2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde (PubChem CID 87966185) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde
PubChem CID87966185
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde
SMILESCc1cc(COC2CCN(C3CCN(CC=O)C3=O)CC2)c2ccccc2n1
InChIInChI=1S/C22H27N3O3/c1-16-14-17(19-4-2-3-5-20(19)23-16)15-28-18-6-9-24(10-7-18)21-8-11-25(12-13-26)22(21)27/h2-5,13-14,18,21H,6-12,15H2,1H3
InChIKeyMSEAILOIMCGSBX-UHFFFAOYSA-N
XLogP2.32
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide
CID 87916888
N-hydroxy-N-[(1S)-1-[(3S)-1-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-3-yl]ethyl]formamide
CID 101337934
N-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119918724
N-methyl-1-[(2-methylquinolin-4-yl)methyl]pyrrolidin-3-amine;dihydrochloride
CID 119905590
3-methyl-1-[(2-methylquinolin-4-yl)methyl]piperidin-4-ol
CID 114502310
1-[(2-methylquinolin-4-yl)methyl]piperidin-3-amine
CID 79234789
2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid
CID 58948368
3-amino-1-[(2-methylquinolin-4-yl)methyl]piperidine-2,6-dione
CID 79232247
(5R)-3-[(2-methylquinolin-4-yl)methyl]-5-propylimidazolidine-2,4-dione
CID 95631707
3-[(2-methylquinolin-4-yl)methoxy]benzaldehyde
CID 78994185
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119664011
2-(2-methylquinolin-4-yl)acetic acid
CID 79019861

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde?
The IUPAC name of 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde (CID 87966185) is 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde is Cc1cc(COC2CCN(C3CCN(CC=O)C3=O)CC2)c2ccccc2n1.
What is the InChIKey of 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde?
The InChIKey is MSEAILOIMCGSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-14-17(19-4-2-3-5-20(19)23-16)15-28-18-6-9-24(10-7-18)21-8-11-25(12-13-26)22(21)27/h2-5,13-14,18,21H,6-12,15H2,1H3.
What are the key properties of 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde?
2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde has a molecular weight of 381.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]-2-oxopyrrolidin-1-yl]acetaldehyde is sourced from PubChem (CID 87966185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).