N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide

C21H24N4O2 — CID 53320602

IUPACN-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide
SMILESCCOc1nc2ccccc2nc1C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H24N4O2/c1-4-25(5-2)16-13-11-15(12-14-16)22-20(26)19-21(27-6-3)24-18-10-8-7-9-17(18)23-19/h7-14H,4-6H2,1-3H3,(H,22,26)
InChIKeyXHZONUGEBIDMTC-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.13
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide

N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide (PubChem CID 53320602) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide
PubChem CID53320602
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide
SMILESCCOc1nc2ccccc2nc1C(=O)Nc1ccc(N(CC)CC)cc1
InChIInChI=1S/C21H24N4O2/c1-4-25(5-2)16-13-11-15(12-14-16)22-20(26)19-21(27-6-3)24-18-10-8-7-9-17(18)23-19/h7-14H,4-6H2,1-3H3,(H,22,26)
InChIKeyXHZONUGEBIDMTC-UHFFFAOYSA-N
XLogP4.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide (CID 53320602) is N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide is CCOc1nc2ccccc2nc1C(=O)Nc1ccc(N(CC)CC)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide?
The InChIKey is XHZONUGEBIDMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-25(5-2)16-13-11-15(12-14-16)22-20(26)19-21(27-6-3)24-18-10-8-7-9-17(18)23-19/h7-14H,4-6H2,1-3H3,(H,22,26).
What are the key properties of N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide?
N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-ethoxyquinoxaline-2-carboxamide is sourced from PubChem (CID 53320602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).