[3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate

C28H33N5O5 — CID 130336738

About [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate

[3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate (PubChem CID 130336738) has the molecular formula C28H33N5O5 and a molecular weight of 519.60 g/mol. Its IUPAC name is [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate.

Molecular Properties

• Compound Name: [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate
• PubChem CID: 130336738
• Molecular Formula: C28H33N5O5
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.25
• IUPAC Name: [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate
• SMILES: C=CCOc1ccc2ccc(=O)n(CCNC3CCCC(OC(=O)Nc4ccc5c(n4)NCCO5)C3)c2c1
• InChI: InChI=1S/C28H33N5O5/c1-2-15-36-21-8-6-19-7-11-26(34)33(23(19)18-21)14-12-29-20-4-3-5-22(17-20)38-28(35)32-25-10-9-24-27(31-25)30-13-16-37-24/h2,6-11,18,20,22,29H,1,3-5,12-17H2,(H2,30,31,32,35)
• InChIKey: OEABPXIFMTXURW-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 115.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate?

The IUPAC name of [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate (CID 130336738) is [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate.

What is the SMILES notation for [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate?

The canonical SMILES for [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate is C=CCOc1ccc2ccc(=O)n(CCNC3CCCC(OC(=O)Nc4ccc5c(n4)NCCO5)C3)c2c1.

What is the InChIKey of [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate?

The InChIKey is OEABPXIFMTXURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5/c1-2-15-36-21-8-6-19-7-11-26(34)33(23(19)18-21)14-12-29-20-4-3-5-22(17-20)38-28(35)32-25-10-9-24-27(31-25)30-13-16-37-24/h2,6-11,18,20,22,29H,1,3-5,12-17H2,(H2,30,31,32,35).

What are the key properties of [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate?

[3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate has a molecular weight of 519.60 g/mol, XLogP of 3.92, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(2-oxo-7-prop-2-enoxyquinolin-1-yl)ethylamino]cyclohexyl] N-(3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-6-yl)carbamate is sourced from PubChem (CID 130336738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).