N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide

C24H23N7O2 — CID 122326128

IUPACN-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc4nccnc4c3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H23N7O2/c1-16-14-22(30-24(27-16)31-10-12-33-13-11-31)28-18-3-5-19(6-4-18)29-23(32)17-2-7-20-21(15-17)26-9-8-25-20/h2-9,14-15H,10-13H2,1H3,(H,29,32)(H,27,28,30)
InChIKeyLYPWLXISCZHXMA-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.56
Rot. Bonds5

About N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide

N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide (PubChem CID 122326128) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide
PubChem CID122326128
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC NameN-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide
SMILESCc1cc(Nc2ccc(NC(=O)c3ccc4nccnc4c3)cc2)nc(N2CCOCC2)n1
InChIInChI=1S/C24H23N7O2/c1-16-14-22(30-24(27-16)31-10-12-33-13-11-31)28-18-3-5-19(6-4-18)29-23(32)17-2-7-20-21(15-17)26-9-8-25-20/h2-9,14-15H,10-13H2,1H3,(H,29,32)(H,27,28,30)
InChIKeyLYPWLXISCZHXMA-UHFFFAOYSA-N
XLogP3.56
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
3,4-dimethoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047904
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 53047921
4-cyano-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122326059
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
5-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 122326053
3-(4-fluorophenoxy)-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 122326154
2,4-dichloro-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047913
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122295849
3,4-dimethoxy-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047832
2-methoxy-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 122325940

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide?
The IUPAC name of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide (CID 122326128) is N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide.
What is the SMILES notation for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide?
The canonical SMILES for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide is Cc1cc(Nc2ccc(NC(=O)c3ccc4nccnc4c3)cc2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide?
The InChIKey is LYPWLXISCZHXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-16-14-22(30-24(27-16)31-10-12-33-13-11-31)28-18-3-5-19(6-4-18)29-23(32)17-2-7-20-21(15-17)26-9-8-25-20/h2-9,14-15H,10-13H2,1H3,(H,29,32)(H,27,28,30).
What are the key properties of N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide?
N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]quinoxaline-6-carboxamide is sourced from PubChem (CID 122326128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).