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

C23H24ClN5O3 — CID 46249483

IUPACN-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C23H24ClN5O3/c24-17-15-16(5-6-20(17)28-7-11-31-12-8-28)25-23(30)21-22(29-9-13-32-14-10-29)27-19-4-2-1-3-18(19)26-21/h1-6,15H,7-14H2,(H,25,30)
InChIKeyREBJNDFQUVSXGL-UHFFFAOYSA-N
MW453.93 g/mol
LogP3.21
Rot. Bonds4

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

N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide (PubChem CID 46249483) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
PubChem CID46249483
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC NameN-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1nc2ccccc2nc1N1CCOCC1
InChIInChI=1S/C23H24ClN5O3/c24-17-15-16(5-6-20(17)28-7-11-31-12-8-28)25-23(30)21-22(29-9-13-32-14-10-29)27-19-4-2-1-3-18(19)26-21/h1-6,15H,7-14H2,(H,25,30)
InChIKeyREBJNDFQUVSXGL-UHFFFAOYSA-N
XLogP3.21
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide (CID 46249483) is N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1nc2ccccc2nc1N1CCOCC1.
What is the InChIKey of N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
The InChIKey is REBJNDFQUVSXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c24-17-15-16(5-6-20(17)28-7-11-31-12-8-28)25-23(30)21-22(29-9-13-32-14-10-29)27-19-4-2-1-3-18(19)26-21/h1-6,15H,7-14H2,(H,25,30).
What are the key properties of N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide?
N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 46249483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).