8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C19H20FN3O3 — CID 70709661

IUPAC8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c2ccc(F)cc2n1
InChIInChI=1S/C19H20FN3O3/c1-12-9-15(14-4-3-13(20)10-16(14)21-12)17(24)23-7-5-19(6-8-23)11-22(2)18(25)26-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyCZXRIZINNXUJSD-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.74
Rot. Bonds1

About 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70709661) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID70709661
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c2ccc(F)cc2n1
InChIInChI=1S/C19H20FN3O3/c1-12-9-15(14-4-3-13(20)10-16(14)21-12)17(24)23-7-5-19(6-8-23)11-22(2)18(25)26-19/h3-4,9-10H,5-8,11H2,1-2H3
InChIKeyCZXRIZINNXUJSD-UHFFFAOYSA-N
XLogP2.74
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(5S)-9-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95716535
(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70759141
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 163305584
[4-(adamantane-1-carbonyl)piperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46686968
[4-(7-fluoro-2-methylquinoline-4-carbonyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94091057
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 70732609
(7-fluoro-2-methylquinolin-4-yl)-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 39503809
(7-fluoro-2-methylquinolin-4-yl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86929470
(7-fluoro-2-methylquinolin-4-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 70740511
4-fluoro-3-(3-methyl-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carbonyl)benzenesulfonamide
CID 72848716
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(7-fluoro-2-methylquinolin-4-yl)methanone
CID 46407821

Frequently Asked Questions

What is the IUPAC name of 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70709661) is 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is Cc1cc(C(=O)N2CCC3(CC2)CN(C)C(=O)O3)c2ccc(F)cc2n1.
What is the InChIKey of 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is CZXRIZINNXUJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-12-9-15(14-4-3-13(20)10-16(14)21-12)17(24)23-7-5-19(6-8-23)11-22(2)18(25)26-19/h3-4,9-10H,5-8,11H2,1-2H3.
What are the key properties of 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 357.39 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(7-fluoro-2-methylquinoline-4-carbonyl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70709661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).