N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide

About N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide

N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide (PubChem CID 22578618) has the molecular formula C22H32N4O5S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide.

Molecular Properties

Compound Name	N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide
PubChem CID	22578618
Molecular Formula	C22H32N4O5S
Molecular Weight	464.59 g/mol
Exact Mass	464.21
IUPAC Name	N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide
SMILES	COCCCNC(=O)CN1C(=O)C2CCCCN2c2ccc(S(=O)(=O)N3CCCC3)cc21
InChI	InChI=1S/C22H32N4O5S/c1-31-14-6-10-23-21(27)16-26-20-15-17(32(29,30)24-11-4-5-12-24)8-9-18(20)25-13-3-2-7-19(25)22(26)28/h8-9,15,19H,2-7,10-14,16H2,1H3,(H,23,27)
InChIKey	RIURDMYTVCNFHK-UHFFFAOYSA-N
XLogP	1.33
TPSA	99.26 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	8
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.59
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide?

The IUPAC name of N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide (CID 22578618) is N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide.

What is the SMILES notation for N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide?

The canonical SMILES for N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide is COCCCNC(=O)CN1C(=O)C2CCCCN2c2ccc(S(=O)(=O)N3CCCC3)cc21.

What is the InChIKey of N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide?

The InChIKey is RIURDMYTVCNFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O5S/c1-31-14-6-10-23-21(27)16-26-20-15-17(32(29,30)24-11-4-5-12-24)8-9-18(20)25-13-3-2-7-19(25)22(26)28/h8-9,15,19H,2-7,10-14,16H2,1H3,(H,23,27).

What are the key properties of N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide?

N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide has a molecular weight of 464.59 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-methoxypropyl)-2-(6-oxo-3-pyrrolidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)acetamide is sourced from PubChem (CID 22578618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).