[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

C22H27N3O6S — CID 142581437

IUPAC[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCOc1ccc2ncc(C(=O)N3CCS(=O)(=O)CC3)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C22H27N3O6S/c1-29-16-2-3-19-17(14-16)20(24-6-4-22(5-7-24)30-10-11-31-22)18(15-23-19)21(26)25-8-12-32(27,28)13-9-25/h2-3,14-15H,4-13H2,1H3
InChIKeySLNUQSPENHYOMO-UHFFFAOYSA-N
MW461.54 g/mol
LogP1.46
Rot. Bonds3

About [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone (PubChem CID 142581437) has the molecular formula C22H27N3O6S and a molecular weight of 461.54 g/mol. Its IUPAC name is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
PubChem CID142581437
Molecular FormulaC22H27N3O6S
Molecular Weight461.54 g/mol
Exact Mass461.16
IUPAC Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
SMILESCOc1ccc2ncc(C(=O)N3CCS(=O)(=O)CC3)c(N3CCC4(CC3)OCCO4)c2c1
InChIInChI=1S/C22H27N3O6S/c1-29-16-2-3-19-17(14-16)20(24-6-4-22(5-7-24)30-10-11-31-22)18(15-23-19)21(26)25-8-12-32(27,28)13-9-25/h2-3,14-15H,4-13H2,1H3
InChIKeySLNUQSPENHYOMO-UHFFFAOYSA-N
XLogP1.46
TPSA98.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone with MolForge

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Related Compounds

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 142581319
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-7-methoxyquinolin-3-yl]-(4-methylsulfinylpiperazin-1-yl)methanone
CID 142581360
4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinoline-3-carbaldehyde
CID 142581527
[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-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 142581476
cyclopropyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-methoxyquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581331
cyclopropyl-[4-[6-methoxy-4-(4-pyridin-4-ylpiperazin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581314
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,7-difluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 142581550
[2-(2,4-dimethoxyphenyl)-6-methylquinolin-4-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 42750008
[6-chloro-4-[4-(3-methoxyphenyl)piperazin-1-yl]quinolin-3-yl]-piperidin-1-ylmethanone
CID 71825152
6-(difluoromethoxy)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)quinoline-3-carbonitrile
CID 60567965

Frequently Asked Questions

What is the IUPAC name of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of [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) is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is COc1ccc2ncc(C(=O)N3CCS(=O)(=O)CC3)c(N3CCC4(CC3)OCCO4)c2c1.
What is the InChIKey of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is SLNUQSPENHYOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O6S/c1-29-16-2-3-19-17(14-16)20(24-6-4-22(5-7-24)30-10-11-31-22)18(15-23-19)21(26)25-8-12-32(27,28)13-9-25/h2-3,14-15H,4-13H2,1H3.
What are the key properties of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone?
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 461.54 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 142581437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).