8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C21H25N3O2 — CID 50951317

IUPAC8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CC3)CNC(=O)C4)c2c1
InChIInChI=1S/C21H25N3O2/c1-13-4-5-17-16(10-13)19(14(2)15(3)23-17)20(26)24-8-6-21(7-9-24)11-18(25)22-12-21/h4-5,10H,6-9,11-12H2,1-3H3,(H,22,25)
InChIKeyGQEYMLGCEIRQPT-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.90
Rot. Bonds1

About 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 50951317) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID50951317
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESCc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CC3)CNC(=O)C4)c2c1
InChIInChI=1S/C21H25N3O2/c1-13-4-5-17-16(10-13)19(14(2)15(3)23-17)20(26)24-8-6-21(7-9-24)11-18(25)22-12-21/h4-5,10H,6-9,11-12H2,1-3H3,(H,22,25)
InChIKeyGQEYMLGCEIRQPT-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 50951317) is 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1ccc2nc(C)c(C)c(C(=O)N3CCC4(CC3)CNC(=O)C4)c2c1.
What is the InChIKey of 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GQEYMLGCEIRQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-13-4-5-17-16(10-13)19(14(2)15(3)23-17)20(26)24-8-6-21(7-9-24)11-18(25)22-12-21/h4-5,10H,6-9,11-12H2,1-3H3,(H,22,25).
What are the key properties of 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 351.45 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3,6-trimethylquinoline-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 50951317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).