1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

C23H30N4O — CID 70715822

About 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one

1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 70715822) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

• Compound Name: 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
• PubChem CID: 70715822
• Molecular Formula: C23H30N4O
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.24
• IUPAC Name: 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
• SMILES: C=CCN1CCC2(CCC1=O)CN(Cc1ccnc3ccccc13)CCN2C
• InChI: InChI=1S/C23H30N4O/c1-3-13-27-14-11-23(10-8-22(27)28)18-26(16-15-25(23)2)17-19-9-12-24-21-7-5-4-6-20(19)21/h3-7,9,12H,1,8,10-11,13-18H2,2H3
• InChIKey: WBXZVISWHDRWME-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 39.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?

The IUPAC name of 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 70715822) is 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one.

What is the SMILES notation for 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?

The canonical SMILES for 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is C=CCN1CCC2(CCC1=O)CN(Cc1ccnc3ccccc13)CCN2C.

What is the InChIKey of 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?

The InChIKey is WBXZVISWHDRWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-3-13-27-14-11-23(10-8-22(27)28)18-26(16-15-25(23)2)17-19-9-12-24-21-7-5-4-6-20(19)21/h3-7,9,12H,1,8,10-11,13-18H2,2H3.

What are the key properties of 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one?

1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 378.52 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-10-prop-2-enyl-4-(quinolin-4-ylmethyl)-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 70715822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).