5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide

C18H25N3O3 — CID 20966608

IUPAC5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCCN1C(=O)C2CCCCN2c2ccc(C(=O)NCCOC)cc21
InChIInChI=1S/C18H25N3O3/c1-3-20-16-12-13(17(22)19-9-11-24-2)7-8-14(16)21-10-5-4-6-15(21)18(20)23/h7-8,12,15H,3-6,9-11H2,1-2H3,(H,19,22)
InChIKeyAKPPGHUNDPTBMX-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.79
Rot. Bonds5

About 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide

5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 20966608) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID20966608
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCCN1C(=O)C2CCCCN2c2ccc(C(=O)NCCOC)cc21
InChIInChI=1S/C18H25N3O3/c1-3-20-16-12-13(17(22)19-9-11-24-2)7-8-14(16)21-10-5-4-6-15(21)18(20)23/h7-8,12,15H,3-6,9-11H2,1-2H3,(H,19,22)
InChIKeyAKPPGHUNDPTBMX-UHFFFAOYSA-N
XLogP1.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The IUPAC name of 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (CID 20966608) is 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The canonical SMILES for 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is CCN1C(=O)C2CCCCN2c2ccc(C(=O)NCCOC)cc21.
What is the InChIKey of 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The InChIKey is AKPPGHUNDPTBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-3-20-16-12-13(17(22)19-9-11-24-2)7-8-14(16)21-10-5-4-6-15(21)18(20)23/h7-8,12,15H,3-6,9-11H2,1-2H3,(H,19,22).
What are the key properties of 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(2-methoxyethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 20966608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).