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

C20H23N3O3 — CID 46349976

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

5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 46349976) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
• PubChem CID: 46349976
• Molecular Formula: C20H23N3O3
• Molecular Weight: 353.42 g/mol
• Exact Mass: 353.17
• IUPAC Name: 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
• SMILES: Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)C2CCCCN32)o1
• InChI: InChI=1S/C20H23N3O3/c1-13-6-8-15(26-13)12-21-19(24)14-7-9-16-18(11-14)22(2)20(25)17-5-3-4-10-23(16)17/h6-9,11,17H,3-5,10,12H2,1-2H3,(H,21,24)
• InChIKey: YAPXXTMNMJSTNI-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 65.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	353.42
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?

The IUPAC name of 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (CID 46349976) is 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.

What is the SMILES notation for 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?

The canonical SMILES for 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is Cc1ccc(CNC(=O)c2ccc3c(c2)N(C)C(=O)C2CCCCN32)o1.

What is the InChIKey of 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?

The InChIKey is YAPXXTMNMJSTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-6-8-15(26-13)12-21-19(24)14-7-9-16-18(11-14)22(2)20(25)17-5-3-4-10-23(16)17/h6-9,11,17H,3-5,10,12H2,1-2H3,(H,21,24).

What are the key properties of 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?

5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[(5-methylfuran-2-yl)methyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 46349976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).