2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione

C23H18Cl2N3O4+ — CID 78577727

IUPAC2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione
SMILESCOCCn1c2c(c(=O)[nH]c1=O)C(c1cccc(Cl)c1Cl)C1=C(O)c3ccccc3C1=[NH+]2
InChIInChI=1S/C23H17Cl2N3O4/c1-32-10-9-28-21-17(22(30)27-23(28)31)15(13-7-4-8-14(24)18(13)25)16-19(26-21)11-5-2-3-6-12(11)20(16)29/h2-8,15,29H,9-10H2,1H3,(H,27,30,31)/p+1
InChIKeyUJDCJKDMWHAQKJ-UHFFFAOYSA-O
MW471.32 g/mol
LogP2.12
Rot. Bonds4

About 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione

2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione (PubChem CID 78577727) has the molecular formula C23H18Cl2N3O4+ and a molecular weight of 471.32 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione
PubChem CID78577727
Molecular FormulaC23H18Cl2N3O4+
Molecular Weight471.32 g/mol
Exact Mass470.07
IUPAC Name2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione
SMILESCOCCn1c2c(c(=O)[nH]c1=O)C(c1cccc(Cl)c1Cl)C1=C(O)c3ccccc3C1=[NH+]2
InChIInChI=1S/C23H17Cl2N3O4/c1-32-10-9-28-21-17(22(30)27-23(28)31)15(13-7-4-8-14(24)18(13)25)16-19(26-21)11-5-2-3-6-12(11)20(16)29/h2-8,15,29H,9-10H2,1H3,(H,27,30,31)/p+1
InChIKeyUJDCJKDMWHAQKJ-UHFFFAOYSA-O
XLogP2.12
TPSA98.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.32
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione?
The IUPAC name of 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione (CID 78577727) is 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione?
The canonical SMILES for 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione is COCCn1c2c(c(=O)[nH]c1=O)C(c1cccc(Cl)c1Cl)C1=C(O)c3ccccc3C1=[NH+]2.
What is the InChIKey of 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione?
The InChIKey is UJDCJKDMWHAQKJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H17Cl2N3O4/c1-32-10-9-28-21-17(22(30)27-23(28)31)15(13-7-4-8-14(24)18(13)25)16-19(26-21)11-5-2-3-6-12(11)20(16)29/h2-8,15,29H,9-10H2,1H3,(H,27,30,31)/p+1.
What are the key properties of 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione?
2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione has a molecular weight of 471.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-17-hydroxy-7-(2-methoxyethyl)-5,7-diaza-9-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),9,11,13,15-hexaene-4,6-dione is sourced from PubChem (CID 78577727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).