N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide

C20H19ClN4O2 — CID 39886350

IUPACN-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c(Cl)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-6-7-15(14(21)12-13)24-20(26)18-19(25-8-10-27-11-9-25)23-17-5-3-2-4-16(17)22-18/h2-7,12H,8-11H2,1H3,(H,24,26)
InChIKeyPPOBARYSQVUZHQ-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.68
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide

N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide (PubChem CID 39886350) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
PubChem CID39886350
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
SMILESCc1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c(Cl)c1
InChIInChI=1S/C20H19ClN4O2/c1-13-6-7-15(14(21)12-13)24-20(26)18-19(25-8-10-27-11-9-25)23-17-5-3-2-4-16(17)22-18/h2-7,12H,8-11H2,1H3,(H,24,26)
InChIKeyPPOBARYSQVUZHQ-UHFFFAOYSA-N
XLogP3.68
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886365
N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46249483
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46365271
N-(3-chloro-2-methylphenyl)-3-piperidin-1-ylquinoxaline-2-carboxamide
CID 46249402
N-(4-ethoxyphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 39886408
N-(4-bromo-2-fluorophenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365196
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045332
N-(2-chloro-4-methylphenyl)-4-pyrrolo[1,2-a]quinoxalin-4-ylpiperazine-1-carboxamide
CID 50805246
N-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365230
N-(2-chlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324279
N-(2-chloro-4-methylphenyl)-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56921210
N-(2,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365493

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide (CID 39886350) is N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide is Cc1ccc(NC(=O)c2nc3ccccc3nc2N2CCOCC2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
The InChIKey is PPOBARYSQVUZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-13-6-7-15(14(21)12-13)24-20(26)18-19(25-8-10-27-11-9-25)23-17-5-3-2-4-16(17)22-18/h2-7,12H,8-11H2,1H3,(H,24,26).
What are the key properties of N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 39886350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).