4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline

C17H19FN2 — CID 133369048

IUPAC4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
SMILESCc1cc(N2CCC3(CCC3)C2)c2cccc(F)c2n1
InChIInChI=1S/C17H19FN2/c1-12-10-15(13-4-2-5-14(18)16(13)19-12)20-9-8-17(11-20)6-3-7-17/h2,4-5,10H,3,6-9,11H2,1H3
InChIKeyMJJCGBNBZMMKNM-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.06
Rot. Bonds1

About 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline

4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline (PubChem CID 133369048) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline.

Molecular Properties

Compound Name4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
PubChem CID133369048
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline
SMILESCc1cc(N2CCC3(CCC3)C2)c2cccc(F)c2n1
InChIInChI=1S/C17H19FN2/c1-12-10-15(13-4-2-5-14(18)16(13)19-12)20-9-8-17(11-20)6-3-7-17/h2,4-5,10H,3,6-9,11H2,1H3
InChIKeyMJJCGBNBZMMKNM-UHFFFAOYSA-N
XLogP4.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline?
The IUPAC name of 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline (CID 133369048) is 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline.
What is the SMILES notation for 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline?
The canonical SMILES for 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline is Cc1cc(N2CCC3(CCC3)C2)c2cccc(F)c2n1.
What is the InChIKey of 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline?
The InChIKey is MJJCGBNBZMMKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-12-10-15(13-4-2-5-14(18)16(13)19-12)20-9-8-17(11-20)6-3-7-17/h2,4-5,10H,3,6-9,11H2,1H3.
What are the key properties of 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline?
4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline has a molecular weight of 270.35 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-azaspiro[3.4]octan-6-yl)-8-fluoro-2-methylquinoline is sourced from PubChem (CID 133369048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).