1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

C21H26FN3O — CID 162636607

IUPAC1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2Cc2ccc3cccc(F)c3n2)C1=O
InChIInChI=1S/C21H26FN3O/c1-15(2)25-13-5-11-21(20(25)26)10-4-12-24(21)14-17-9-8-16-6-3-7-18(22)19(16)23-17/h3,6-9,15H,4-5,10-14H2,1-2H3
InChIKeyBJAOFGJQGRKYHO-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.74
Rot. Bonds3

About 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one

1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162636607) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162636607
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one
SMILESCC(C)N1CCCC2(CCCN2Cc2ccc3cccc(F)c3n2)C1=O
InChIInChI=1S/C21H26FN3O/c1-15(2)25-13-5-11-21(20(25)26)10-4-12-24(21)14-17-9-8-16-6-3-7-18(22)19(16)23-17/h3,6-9,15H,4-5,10-14H2,1-2H3
InChIKeyBJAOFGJQGRKYHO-UHFFFAOYSA-N
XLogP3.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one with MolForge

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Related Compounds

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2-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-1-(8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one (CID 162636607) is 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is CC(C)N1CCCC2(CCCN2Cc2ccc3cccc(F)c3n2)C1=O.
What is the InChIKey of 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is BJAOFGJQGRKYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15(2)25-13-5-11-21(20(25)26)10-4-12-24(21)14-17-9-8-16-6-3-7-18(22)19(16)23-17/h3,6-9,15H,4-5,10-14H2,1-2H3.
What are the key properties of 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one?
1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 355.46 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-fluoroquinolin-2-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162636607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).