[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone

C21H24FN3O4 — CID 142581622

IUPAC[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)OCCO2)N1CCOCC1
InChIInChI=1S/C21H24FN3O4/c22-15-1-2-18-16(13-15)19(24-5-3-21(4-6-24)28-11-12-29-21)17(14-23-18)20(26)25-7-9-27-10-8-25/h1-2,13-14H,3-12H2
InChIKeyAWFQMCSNFOVTBO-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.19
Rot. Bonds2

About [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone

[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone (PubChem CID 142581622) has the molecular formula C21H24FN3O4 and a molecular weight of 401.44 g/mol. Its IUPAC name is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
PubChem CID142581622
Molecular FormulaC21H24FN3O4
Molecular Weight401.44 g/mol
Exact Mass401.18
IUPAC Name[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)OCCO2)N1CCOCC1
InChIInChI=1S/C21H24FN3O4/c22-15-1-2-18-16(13-15)19(24-5-3-21(4-6-24)28-11-12-29-21)17(14-23-18)20(26)25-7-9-27-10-8-25/h1-2,13-14H,3-12H2
InChIKeyAWFQMCSNFOVTBO-UHFFFAOYSA-N
XLogP2.19
TPSA64.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

(4-chloro-6-fluoroquinolin-3-yl)-morpholin-4-ylmethanone
CID 83290736
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-hydroxyquinolin-3-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 142581476
[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)-6,7-difluoroquinolin-3-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 142581550
[4-[4-(3-azaspiro[5.5]undecan-3-yl)-6-fluoroquinoline-3-carbonyl]piperazin-1-yl]-cyclopropylmethanone
CID 142581654
1-[6-fluoro-3-(pyrrolidine-1-carbonyl)quinolin-4-yl]piperidine-4-carboxamide
CID 53333806
cyclopropyl-[4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoro-8-methylquinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581502
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-methoxyquinolin-3-yl]-(4-phenylpiperidin-1-yl)methanone
CID 142581319
cyclopropyl-[4-[6-fluoro-4-(4-hydroxy-4-phenylpiperidin-1-yl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 142581260
1-[6-fluoro-3-(4-methylsulfonylpiperidine-1-carbonyl)quinolin-4-yl]-4-methylpiperidine-4-carbonitrile
CID 142581596
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-fluoro-2-phenylquinolin-4-yl)methanone
CID 42750128
4-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6,8-difluoroquinoline-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 142581475

Frequently Asked Questions

What is the IUPAC name of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone (CID 142581622) is [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone is O=C(c1cnc2ccc(F)cc2c1N1CCC2(CC1)OCCO2)N1CCOCC1.
What is the InChIKey of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is AWFQMCSNFOVTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O4/c22-15-1-2-18-16(13-15)19(24-5-3-21(4-6-24)28-11-12-29-21)17(14-23-18)20(26)25-7-9-27-10-8-25/h1-2,13-14H,3-12H2.
What are the key properties of [4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone?
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-fluoroquinolin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 401.44 g/mol, XLogP of 2.19, 2 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-fluoroquinolin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 142581622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).