4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde

C18H20N2O4 — CID 142581527

IUPAC4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2ncc(C=O)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C18H20N2O4/c1-22-14-2-3-16-15(10-14)17(13(12-21)11-19-16)20-6-4-18(5-7-20)23-8-9-24-18/h2-3,10-12H,4-9H2,1H3
InChIKeyQZFQHJLFZDIFRK-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.40
Rot. Bonds3

About 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde

4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde (PubChem CID 142581527) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde
PubChem CID142581527
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2ncc(C=O)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C18H20N2O4/c1-22-14-2-3-16-15(10-14)17(13(12-21)11-19-16)20-6-4-18(5-7-20)23-8-9-24-18/h2-3,10-12H,4-9H2,1H3
InChIKeyQZFQHJLFZDIFRK-UHFFFAOYSA-N
XLogP2.40
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde with MolForge

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Related Compounds

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 142581437
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 142581319
6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
CID 60567965
8-(5-methoxy-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 113236174
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone
CID 142581360
6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
CID 141453765
3-bromo-6-methoxy-4-piperazin-1-ylquinoline
CID 121236333
8-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 20881449
N-(2,5-dimethoxyphenyl)-5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109193937
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
CID 142581622
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-dimethoxyquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 142581585
4-[3-[(3,4-dichlorophenyl)methyl]-6-methoxyquinolin-4-yl]morpholine
CID 143492312

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde?
The IUPAC name of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde (CID 142581527) is 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde?
The canonical SMILES for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde is COc1ccc2ncc(C=O)c(N3CCC4(CC3)OCCO4)c2c1.
What is the InChIKey of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde?
The InChIKey is QZFQHJLFZDIFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-22-14-2-3-16-15(10-14)17(13(12-21)11-19-16)20-6-4-18(5-7-20)23-8-9-24-18/h2-3,10-12H,4-9H2,1H3.
What are the key properties of 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde?
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde has a molecular weight of 328.37 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 142581527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).