1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine

C21H27N5O2 — CID 111193054

About 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine

1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine (PubChem CID 111193054) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine.

Molecular Properties

• Compound Name: 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine
• PubChem CID: 111193054
• Molecular Formula: C21H27N5O2
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.22
• IUPAC Name: 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine
• SMILES: CCN/C(=N\CCc1ccccn1)NCCOc1ccc2c(c1)CCC(=O)N2
• InChI: InChI=1S/C21H27N5O2/c1-2-22-21(24-12-10-17-5-3-4-11-23-17)25-13-14-28-18-7-8-19-16(15-18)6-9-20(27)26-19/h3-5,7-8,11,15H,2,6,9-10,12-14H2,1H3,(H,26,27)(H2,22,24,25)
• InChIKey: BEQMAXJXRLAYJC-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 87.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.48
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine?

The IUPAC name of 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine (CID 111193054) is 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine.

What is the SMILES notation for 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine?

The canonical SMILES for 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine is CCN/C(=N\CCc1ccccn1)NCCOc1ccc2c(c1)CCC(=O)N2.

What is the InChIKey of 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine?

The InChIKey is BEQMAXJXRLAYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-2-22-21(24-12-10-17-5-3-4-11-23-17)25-13-14-28-18-7-8-19-16(15-18)6-9-20(27)26-19/h3-5,7-8,11,15H,2,6,9-10,12-14H2,1H3,(H,26,27)(H2,22,24,25).

What are the key properties of 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine?

1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine has a molecular weight of 381.48 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-2-(2-pyridin-2-ylethyl)guanidine is sourced from PubChem (CID 111193054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).