(5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

C23H23N5O2 — CID 97373597

About (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one

(5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 97373597) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

• Compound Name: (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
• PubChem CID: 97373597
• Molecular Formula: C23H23N5O2
• Molecular Weight: 401.47 g/mol
• Exact Mass: 401.19
• IUPAC Name: (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
• SMILES: CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1ccc3ncccc3c1)C2
• InChI: InChI=1S/C23H23N5O2/c1-26-14-21(29)28(19-5-3-9-24-13-19)16-23(26)8-11-27(15-23)22(30)18-6-7-20-17(12-18)4-2-10-25-20/h2-7,9-10,12-13H,8,11,14-16H2,1H3/t23-/m0/s1
• InChIKey: DUVCQRRYJHKFLE-QHCPKHFHSA-N
• XLogP: 2.19
• TPSA: 69.64 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.47
LogP ≤ 5	2.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?

The IUPAC name of (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one (CID 97373597) is (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one.

What is the SMILES notation for (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?

The canonical SMILES for (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)c1ccc3ncccc3c1)C2.

What is the InChIKey of (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?

The InChIKey is DUVCQRRYJHKFLE-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-26-14-21(29)28(19-5-3-9-24-13-19)16-23(26)8-11-27(15-23)22(30)18-6-7-20-17(12-18)4-2-10-25-20/h2-7,9-10,12-13H,8,11,14-16H2,1H3/t23-/m0/s1.

What are the key properties of (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one?

(5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 401.47 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-6-methyl-9-pyridin-3-yl-2-(quinoline-6-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 97373597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).