4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone

About 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone

4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone (PubChem CID 4602483) has the molecular formula C45H46N10O12 and a molecular weight of 918.92 g/mol. Its IUPAC name is 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone.

Molecular Properties

Compound Name	4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
PubChem CID	4602483
Molecular Formula	C45H46N10O12
Molecular Weight	918.92 g/mol
Exact Mass	918.33
IUPAC Name	4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone
SMILES	COc1cc(C=CC2C3=CCn4c(=O)n(CCc5nc6cc(OC)c(OC)cc6n(C)c5=O)c(=O)n4C3Cn3c(=O)n(CCc4nc5cc(OC)c(OC)cc5n(C)c4=O)c(=O)n32)ccc1O
InChI	InChI=1S/C45H46N10O12/c1-48-31-21-38(66-6)36(64-4)19-28(31)46-26(40(48)57)13-15-50-42(59)52-17-12-25-30(10-8-24-9-11-34(56)35(18-24)63-3)54-44(61)51(43(60)53(54)23-33(25)55(52)45(50)62)16-14-27-41(58)49(2)32-22-39(67-7)37(65-5)20-29(32)47-27/h8-12,18-22,30,33,56H,13-17,23H2,1-7H3
InChIKey	FKAUMLIZHBICTD-UHFFFAOYSA-N
XLogP	1.11
TPSA	234.02 Å²
H-Bond Donors	1
H-Bond Acceptors	22
Rotatable Bonds	13
Heavy Atoms	67
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	918.92
LogP ≤ 5	1.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone?

The IUPAC name of 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone (CID 4602483) is 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone.

What is the SMILES notation for 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone?

The canonical SMILES for 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone is COc1cc(C=CC2C3=CCn4c(=O)n(CCc5nc6cc(OC)c(OC)cc6n(C)c5=O)c(=O)n4C3Cn3c(=O)n(CCc4nc5cc(OC)c(OC)cc5n(C)c4=O)c(=O)n32)ccc1O.

What is the InChIKey of 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone?

The InChIKey is FKAUMLIZHBICTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H46N10O12/c1-48-31-21-38(66-6)36(64-4)19-28(31)46-26(40(48)57)13-15-50-42(59)52-17-12-25-30(10-8-24-9-11-34(56)35(18-24)63-3)54-44(61)51(43(60)53(54)23-33(25)55(52)45(50)62)16-14-27-41(58)49(2)32-22-39(67-7)37(65-5)20-29(32)47-27/h8-12,18-22,30,33,56H,13-17,23H2,1-7H3.

What are the key properties of 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone?

4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone has a molecular weight of 918.92 g/mol, XLogP of 1.11, 13 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4,13-bis[2-(6,7-dimethoxy-4-methyl-3-oxoquinoxalin-2-yl)ethyl]-10-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2,4,6,11,13,15-hexazatetracyclo[7.7.0.02,6.011,15]hexadec-8-ene-3,5,12,14-tetrone is sourced from PubChem (CID 4602483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).