N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide

C32H34N4O4 — CID 10370003

IUPACN-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide
SMILESCCOC(Cc1ccc(-c2cccc(CN(C)C(=O)c3ccc4nccnc4c3)c2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C32H34N4O4/c1-3-40-30(32(38)36-15-17-39-18-16-36)20-23-7-9-25(10-8-23)26-6-4-5-24(19-26)22-35(2)31(37)27-11-12-28-29(21-27)34-14-13-33-28/h4-14,19,21,30H,3,15-18,20,22H2,1-2H3
InChIKeyUUXCYTKQAIWLLZ-UHFFFAOYSA-N
MW538.65 g/mol
LogP4.38
Rot. Bonds9

About N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide

N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide (PubChem CID 10370003) has the molecular formula C32H34N4O4 and a molecular weight of 538.65 g/mol. Its IUPAC name is N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide
PubChem CID10370003
Molecular FormulaC32H34N4O4
Molecular Weight538.65 g/mol
Exact Mass538.26
IUPAC NameN-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide
SMILESCCOC(Cc1ccc(-c2cccc(CN(C)C(=O)c3ccc4nccnc4c3)c2)cc1)C(=O)N1CCOCC1
InChIInChI=1S/C32H34N4O4/c1-3-40-30(32(38)36-15-17-39-18-16-36)20-23-7-9-25(10-8-23)26-6-4-5-24(19-26)22-35(2)31(37)27-11-12-28-29(21-27)34-14-13-33-28/h4-14,19,21,30H,3,15-18,20,22H2,1-2H3
InChIKeyUUXCYTKQAIWLLZ-UHFFFAOYSA-N
XLogP4.38
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.65
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide?
The IUPAC name of N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide (CID 10370003) is N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide.
What is the SMILES notation for N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide?
The canonical SMILES for N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide is CCOC(Cc1ccc(-c2cccc(CN(C)C(=O)c3ccc4nccnc4c3)c2)cc1)C(=O)N1CCOCC1.
What is the InChIKey of N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide?
The InChIKey is UUXCYTKQAIWLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O4/c1-3-40-30(32(38)36-15-17-39-18-16-36)20-23-7-9-25(10-8-23)26-6-4-5-24(19-26)22-35(2)31(37)27-11-12-28-29(21-27)34-14-13-33-28/h4-14,19,21,30H,3,15-18,20,22H2,1-2H3.
What are the key properties of N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide?
N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide has a molecular weight of 538.65 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(2-ethoxy-3-morpholin-4-yl-3-oxopropyl)phenyl]phenyl]methyl]-N-methylquinoxaline-6-carboxamide is sourced from PubChem (CID 10370003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).