3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide

C45H37N7O5 — CID 174735339

IUPAC3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)c3ccc4nc(C5CNCCO5)cnc4c3)c2)c(-c2cccc(C(=O)c3ccc4nc(C5CNCCO5)cnc4c3)c2)c1
InChIInChI=1S/C45H37N7O5/c46-45(55)32-7-10-33(26-3-1-5-28(17-26)43(53)30-8-11-35-37(20-30)49-22-39(51-35)41-24-47-13-15-56-41)34(19-32)27-4-2-6-29(18-27)44(54)31-9-12-36-38(21-31)50-23-40(52-36)42-25-48-14-16-57-42/h1-12,17-23,41-42,47-48H,13-16,24-25H2,(H2,46,55)
InChIKeyLPKBACOVJOHKFO-UHFFFAOYSA-N
MW755.84 g/mol
LogP5.79
Rot. Bonds9

About 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide

3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide (PubChem CID 174735339) has the molecular formula C45H37N7O5 and a molecular weight of 755.84 g/mol. Its IUPAC name is 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide
PubChem CID174735339
Molecular FormulaC45H37N7O5
Molecular Weight755.84 g/mol
Exact Mass755.29
IUPAC Name3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide
SMILESNC(=O)c1ccc(-c2cccc(C(=O)c3ccc4nc(C5CNCCO5)cnc4c3)c2)c(-c2cccc(C(=O)c3ccc4nc(C5CNCCO5)cnc4c3)c2)c1
InChIInChI=1S/C45H37N7O5/c46-45(55)32-7-10-33(26-3-1-5-28(17-26)43(53)30-8-11-35-37(20-30)49-22-39(51-35)41-24-47-13-15-56-41)34(19-32)27-4-2-6-29(18-27)44(54)31-9-12-36-38(21-31)50-23-40(52-36)42-25-48-14-16-57-42/h1-12,17-23,41-42,47-48H,13-16,24-25H2,(H2,46,55)
InChIKeyLPKBACOVJOHKFO-UHFFFAOYSA-N
XLogP5.79
TPSA171.31 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500755.84
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The IUPAC name of 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide (CID 174735339) is 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide is NC(=O)c1ccc(-c2cccc(C(=O)c3ccc4nc(C5CNCCO5)cnc4c3)c2)c(-c2cccc(C(=O)c3ccc4nc(C5CNCCO5)cnc4c3)c2)c1.
What is the InChIKey of 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide?
The InChIKey is LPKBACOVJOHKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H37N7O5/c46-45(55)32-7-10-33(26-3-1-5-28(17-26)43(53)30-8-11-35-37(20-30)49-22-39(51-35)41-24-47-13-15-56-41)34(19-32)27-4-2-6-29(18-27)44(54)31-9-12-36-38(21-31)50-23-40(52-36)42-25-48-14-16-57-42/h1-12,17-23,41-42,47-48H,13-16,24-25H2,(H2,46,55).
What are the key properties of 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide?
3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide has a molecular weight of 755.84 g/mol, XLogP of 5.79, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis[3-(2-morpholin-2-ylquinoxaline-6-carbonyl)phenyl]benzamide is sourced from PubChem (CID 174735339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).