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

C21H28N4O4 — CID 46353535

IUPACN,N-dimethyl-5-(2-morpholin-4-yl-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)N1CCOCC1)C(=O)C1CCCCN21
InChIInChI=1S/C21H28N4O4/c1-22(2)20(27)15-6-7-16-18(13-15)25(14-19(26)23-9-11-29-12-10-23)21(28)17-5-3-4-8-24(16)17/h6-7,13,17H,3-5,8-12,14H2,1-2H3
InChIKeyUWHUBCRSKQYSMY-UHFFFAOYSA-N
MW400.48 g/mol
LogP0.95
Rot. Bonds3

About 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

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 (PubChem CID 46353535) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,N-dimethyl-5-(2-morpholin-4-yl-2-oxoethyl)-6-oxo-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxaline-3-carboxamide
PubChem CID46353535
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN,N-dimethyl-5-(2-morpholin-4-yl-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)N1CCOCC1)C(=O)C1CCCCN21
InChIInChI=1S/C21H28N4O4/c1-22(2)20(27)15-6-7-16-18(13-15)25(14-19(26)23-9-11-29-12-10-23)21(28)17-5-3-4-8-24(16)17/h6-7,13,17H,3-5,8-12,14H2,1-2H3
InChIKeyUWHUBCRSKQYSMY-UHFFFAOYSA-N
XLogP0.95
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)C1CCCCN21.
What is the InChIKey of 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?
The InChIKey is UWHUBCRSKQYSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-22(2)20(27)15-6-7-16-18(13-15)25(14-19(26)23-9-11-29-12-10-23)21(28)17-5-3-4-8-24(16)17/h6-7,13,17H,3-5,8-12,14H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 400.48 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 46353535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).