N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide

C26H28N8O3 — CID 57442128

IUPACN-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide
SMILESCC1CN(c2nc(N3CCOCC3)c3ccc(NC(=O)c4cnc5ccccc5n4)nc3n2)CC(C)O1
InChIInChI=1S/C26H28N8O3/c1-16-14-34(15-17(2)37-16)26-31-23-18(24(32-26)33-9-11-36-12-10-33)7-8-22(29-23)30-25(35)21-13-27-19-5-3-4-6-20(19)28-21/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,29,30,31,32,35)
InChIKeyJOGGOUKGPIOZOS-UHFFFAOYSA-N
MW500.56 g/mol
LogP2.67
Rot. Bonds4

About N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide

N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide (PubChem CID 57442128) has the molecular formula C26H28N8O3 and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide
PubChem CID57442128
Molecular FormulaC26H28N8O3
Molecular Weight500.56 g/mol
Exact Mass500.23
IUPAC NameN-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide
SMILESCC1CN(c2nc(N3CCOCC3)c3ccc(NC(=O)c4cnc5ccccc5n4)nc3n2)CC(C)O1
InChIInChI=1S/C26H28N8O3/c1-16-14-34(15-17(2)37-16)26-31-23-18(24(32-26)33-9-11-36-12-10-33)7-8-22(29-23)30-25(35)21-13-27-19-5-3-4-6-20(19)28-21/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,29,30,31,32,35)
InChIKeyJOGGOUKGPIOZOS-UHFFFAOYSA-N
XLogP2.67
TPSA118.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide (CID 57442128) is N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide is CC1CN(c2nc(N3CCOCC3)c3ccc(NC(=O)c4cnc5ccccc5n4)nc3n2)CC(C)O1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide?
The InChIKey is JOGGOUKGPIOZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O3/c1-16-14-34(15-17(2)37-16)26-31-23-18(24(32-26)33-9-11-36-12-10-33)7-8-22(29-23)30-25(35)21-13-27-19-5-3-4-6-20(19)28-21/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,29,30,31,32,35).
What are the key properties of N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide?
N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide has a molecular weight of 500.56 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholin-4-yl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-7-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 57442128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).