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

C22H32N4O4 — CID 46353561

IUPAC5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCCOCCCNC(=O)CN1C(=O)C2CCCCN2c2ccc(C(=O)N(C)C)cc21
InChIInChI=1S/C22H32N4O4/c1-4-30-13-7-11-23-20(27)15-26-19-14-16(21(28)24(2)3)9-10-17(19)25-12-6-5-8-18(25)22(26)29/h9-10,14,18H,4-8,11-13,15H2,1-3H3,(H,23,27)
InChIKeyACDJYOHOCLHEGJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP1.64
Rot. Bonds8

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

5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (PubChem CID 46353561) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID46353561
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
SMILESCCOCCCNC(=O)CN1C(=O)C2CCCCN2c2ccc(C(=O)N(C)C)cc21
InChIInChI=1S/C22H32N4O4/c1-4-30-13-7-11-23-20(27)15-26-19-14-16(21(28)24(2)3)9-10-17(19)25-12-6-5-8-18(25)22(26)29/h9-10,14,18H,4-8,11-13,15H2,1-3H3,(H,23,27)
InChIKeyACDJYOHOCLHEGJ-UHFFFAOYSA-N
XLogP1.64
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide with MolForge

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Related Compounds

N,N-dimethyl-5-[2-(3-methylbutylamino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353554
(6aS)-5-[2-[2-(azepan-1-yl)ethylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 93059908
N,N-dimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353552
(6aR)-N,N-dimethyl-5-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752079
(6aS)-N,N-dimethyl-6-oxo-5-[2-oxo-2-(2-phenylethylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752084
5-[2-(butan-2-ylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353542
N,N-dimethyl-5-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353565
(6aR)-5-[2-(benzylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 92752054
(6aR)-5-[2-(2-ethoxyanilino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 93059893
(6aR)-5-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 95074749
2-[(6aS)-6-oxo-3-(pyrrolidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-propylacetamide
CID 92752153
(6aR)-N,N-dimethyl-6-oxo-5-[2-oxo-2-(pyridin-2-ylamino)ethyl]-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 95074739

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The IUPAC name of 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide (CID 46353561) is 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide.
What is the SMILES notation for 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The canonical SMILES for 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is CCOCCCNC(=O)CN1C(=O)C2CCCCN2c2ccc(C(=O)N(C)C)cc21.
What is the InChIKey of 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
The InChIKey is ACDJYOHOCLHEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-4-30-13-7-11-23-20(27)15-26-19-14-16(21(28)24(2)3)9-10-17(19)25-12-6-5-8-18(25)22(26)29/h9-10,14,18H,4-8,11-13,15H2,1-3H3,(H,23,27).
What are the key properties of 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide?
5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide has a molecular weight of 416.52 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 46353561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).