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

C23H33N5O4 — CID 46353565

IUPACN,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
SMILESCN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCN1CCOCC1)C(=O)C1CCCCN21
InChIInChI=1S/C23H33N5O4/c1-25(2)22(30)17-6-7-18-20(15-17)28(23(31)19-5-3-4-9-27(18)19)16-21(29)24-8-10-26-11-13-32-14-12-26/h6-7,15,19H,3-5,8-14,16H2,1-2H3,(H,24,29)
InChIKeyIPJZTZRFFXGGIK-UHFFFAOYSA-N
MW443.55 g/mol
LogP0.54
Rot. Bonds6

About 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

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 (PubChem CID 46353565) has the molecular formula C23H33N5O4 and a molecular weight of 443.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID46353565
Molecular FormulaC23H33N5O4
Molecular Weight443.55 g/mol
Exact Mass443.25
IUPAC NameN,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
SMILESCN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCN1CCOCC1)C(=O)C1CCCCN21
InChIInChI=1S/C23H33N5O4/c1-25(2)22(30)17-6-7-18-20(15-17)28(23(31)19-5-3-4-9-27(18)19)16-21(29)24-8-10-26-11-13-32-14-12-26/h6-7,15,19H,3-5,8-14,16H2,1-2H3,(H,24,29)
InChIKeyIPJZTZRFFXGGIK-UHFFFAOYSA-N
XLogP0.54
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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)-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-methylbutylamino)-2-oxoethyl]-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353554
N,N-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353535
(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-(3-ethoxypropylamino)-2-oxoethyl]-N,N-dimethyl-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
CID 46353561
(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
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
(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-[3-(dimethylsulfamoyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 53088479
(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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1ccc2c(c1)N(CC(=O)NCCN1CCOCC1)C(=O)C1CCCCN21.
What is the InChIKey of 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?
The InChIKey is IPJZTZRFFXGGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O4/c1-25(2)22(30)17-6-7-18-20(15-17)28(23(31)19-5-3-4-9-27(18)19)16-21(29)24-8-10-26-11-13-32-14-12-26/h6-7,15,19H,3-5,8-14,16H2,1-2H3,(H,24,29).
What are the key properties of 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?
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 has a molecular weight of 443.55 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46353565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).