N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide

C22H24N4O3 — CID 46249324

IUPACN-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2N2CCOCC2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-12-18-19(13-15(14)2)25-21(26-8-10-29-11-9-26)20(24-18)22(27)23-16-4-6-17(28-3)7-5-16/h4-7,12-13H,8-11H2,1-3H3,(H,23,27)
InChIKeyZWERWUMQMRBWLE-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.34
Rot. Bonds4

About N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide

N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide (PubChem CID 46249324) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide
PubChem CID46249324
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide
SMILESCOc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2N2CCOCC2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-12-18-19(13-15(14)2)25-21(26-8-10-29-11-9-26)20(24-18)22(27)23-16-4-6-17(28-3)7-5-16/h4-7,12-13H,8-11H2,1-3H3,(H,23,27)
InChIKeyZWERWUMQMRBWLE-UHFFFAOYSA-N
XLogP3.34
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide (CID 46249324) is N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide is COc1ccc(NC(=O)c2nc3cc(C)c(C)cc3nc2N2CCOCC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide?
The InChIKey is ZWERWUMQMRBWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-12-18-19(13-15(14)2)25-21(26-8-10-29-11-9-26)20(24-18)22(27)23-16-4-6-17(28-3)7-5-16/h4-7,12-13H,8-11H2,1-3H3,(H,23,27).
What are the key properties of N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide?
N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-6,7-dimethyl-3-morpholin-4-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 46249324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).