[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone

C19H23N3O — CID 97393407

IUPAC[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone
SMILESCN1CCC[C@]12CCCN(C(=O)c1ccc3ccccc3n1)C2
InChIInChI=1S/C19H23N3O/c1-21-12-4-10-19(21)11-5-13-22(14-19)18(23)17-9-8-15-6-2-3-7-16(15)20-17/h2-3,6-9H,4-5,10-14H2,1H3/t19-/m1/s1
InChIKeyDUUFXENGUSKNDI-LJQANCHMSA-N
MW309.41 g/mol
LogP2.94
Rot. Bonds1

About [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone

[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone (PubChem CID 97393407) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone
PubChem CID97393407
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone
SMILESCN1CCC[C@]12CCCN(C(=O)c1ccc3ccccc3n1)C2
InChIInChI=1S/C19H23N3O/c1-21-12-4-10-19(21)11-5-13-22(14-19)18(23)17-9-8-15-6-2-3-7-16(15)20-17/h2-3,6-9H,4-5,10-14H2,1H3/t19-/m1/s1
InChIKeyDUUFXENGUSKNDI-LJQANCHMSA-N
XLogP2.94
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone (CID 97393407) is [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone is CN1CCC[C@]12CCCN(C(=O)c1ccc3ccccc3n1)C2.
What is the InChIKey of [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone?
The InChIKey is DUUFXENGUSKNDI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-12-4-10-19(21)11-5-13-22(14-19)18(23)17-9-8-15-6-2-3-7-16(15)20-17/h2-3,6-9H,4-5,10-14H2,1H3/t19-/m1/s1.
What are the key properties of [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone?
[(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone has a molecular weight of 309.41 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-1-methyl-1,9-diazaspiro[4.5]decan-9-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 97393407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).