9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

C17H19FN2O2 — CID 133479209

IUPAC9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1cc(N2CCOC3(CCOC3)C2)c2cccc(F)c2n1
InChIInChI=1S/C17H19FN2O2/c1-12-9-15(13-3-2-4-14(18)16(13)19-12)20-6-8-22-17(10-20)5-7-21-11-17/h2-4,9H,5-8,10-11H2,1H3
InChIKeyPPCSATATNBSTIC-UHFFFAOYSA-N
MW302.35 g/mol
LogP2.68
Rot. Bonds1

About 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 133479209) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID133479209
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCc1cc(N2CCOC3(CCOC3)C2)c2cccc(F)c2n1
InChIInChI=1S/C17H19FN2O2/c1-12-9-15(13-3-2-4-14(18)16(13)19-12)20-6-8-22-17(10-20)5-7-21-11-17/h2-4,9H,5-8,10-11H2,1H3
InChIKeyPPCSATATNBSTIC-UHFFFAOYSA-N
XLogP2.68
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

4-(2-methylquinolin-4-yl)-1,9-dioxa-4-azaspiro[5.5]undecane
CID 133378282
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
CID 133369048
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052496
9-(3-fluoro-2-nitrophenyl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479098
4-(aminomethyl)-1-(8-fluoro-2-methylquinolin-4-yl)piperidin-4-ol
CID 136548281
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylazetidine-3-carboxamide
CID 138001197
4-(2,8-dimethylquinolin-4-yl)morpholine
CID 71424846
[1-(8-fluoro-2-methylquinolin-4-yl)-4-phenylpiperidin-4-yl]methanol
CID 167867904
(3S)-1-(8-fluoro-2-methylquinolin-4-yl)-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129482606
9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479181
4-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-3-fluorobenzonitrile
CID 133479070

Frequently Asked Questions

What is the IUPAC name of 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (CID 133479209) is 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is Cc1cc(N2CCOC3(CCOC3)C2)c2cccc(F)c2n1.
What is the InChIKey of 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is PPCSATATNBSTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-12-9-15(13-3-2-4-14(18)16(13)19-12)20-6-8-22-17(10-20)5-7-21-11-17/h2-4,9H,5-8,10-11H2,1H3.
What are the key properties of 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 302.35 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(8-fluoro-2-methylquinolin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 133479209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).