(2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine

C34H35Cl4N5 — CID 170302183

IUPAC(2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine
SMILESC=c1nc2cc(Nc3ccc(Cl)c(Cl)c3)/c(=N/C3CC(C)(C)NC(C)(C)C3)cc-2n(-c2ccc(Cl)c(Cl)c2)/c1=C/C=C\C
InChIInChI=1S/C34H35Cl4N5/c1-7-8-9-31-20(2)39-30-16-28(40-21-10-12-24(35)26(37)14-21)29(41-22-18-33(3,4)42-34(5,6)19-22)17-32(30)43(31)23-11-13-25(36)27(38)15-23/h7-17,22,40,42H,2,18-19H2,1,3-6H3/b8-7-,31-9+,41-29+
InChIKeyWPHCOEKEYNACPK-UTVXQPSMSA-N
MW655.50 g/mol
LogP8.31
Rot. Bonds5

About (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine

(2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine (PubChem CID 170302183) has the molecular formula C34H35Cl4N5 and a molecular weight of 655.50 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine
PubChem CID170302183
Molecular FormulaC34H35Cl4N5
Molecular Weight655.50 g/mol
Exact Mass653.16
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine
SMILESC=c1nc2cc(Nc3ccc(Cl)c(Cl)c3)/c(=N/C3CC(C)(C)NC(C)(C)C3)cc-2n(-c2ccc(Cl)c(Cl)c2)/c1=C/C=C\C
InChIInChI=1S/C34H35Cl4N5/c1-7-8-9-31-20(2)39-30-16-28(40-21-10-12-24(35)26(37)14-21)29(41-22-18-33(3,4)42-34(5,6)19-22)17-32(30)43(31)23-11-13-25(36)27(38)15-23/h7-17,22,40,42H,2,18-19H2,1,3-6H3/b8-7-,31-9+,41-29+
InChIKeyWPHCOEKEYNACPK-UTVXQPSMSA-N
XLogP8.31
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.50
LogP ≤ 58.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine (CID 170302183) is (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine is C=c1nc2cc(Nc3ccc(Cl)c(Cl)c3)/c(=N/C3CC(C)(C)NC(C)(C)C3)cc-2n(-c2ccc(Cl)c(Cl)c2)/c1=C/C=C\C.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine?
The InChIKey is WPHCOEKEYNACPK-UTVXQPSMSA-N. The full InChI is InChI=1S/C34H35Cl4N5/c1-7-8-9-31-20(2)39-30-16-28(40-21-10-12-24(35)26(37)14-21)29(41-22-18-33(3,4)42-34(5,6)19-22)17-32(30)43(31)23-11-13-25(36)27(38)15-23/h7-17,22,40,42H,2,18-19H2,1,3-6H3/b8-7-,31-9+,41-29+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine?
(2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine has a molecular weight of 655.50 g/mol, XLogP of 8.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-N,1-bis(3,4-dichlorophenyl)-3-methylidene-7-(2,2,6,6-tetramethylpiperidin-4-yl)iminoquinoxalin-6-amine is sourced from PubChem (CID 170302183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).