(2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C17H12Cl2N4O3 — CID 155567144

IUPAC(2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(/C=C1/Nc2cc(Cl)c(Cl)cc2NC1=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H12Cl2N4O3/c18-10-5-12-13(6-11(10)19)22-17(26)14(21-12)7-16(25)23-20-8-9-3-1-2-4-15(9)24/h1-8,21,24H,(H,22,26)(H,23,25)/b14-7+,20-8+
InChIKeyBXBWARFTKSNDEJ-BOQZEXEDSA-N
MW391.21 g/mol
LogP3.10
Rot. Bonds3

About (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

(2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 155567144) has the molecular formula C17H12Cl2N4O3 and a molecular weight of 391.21 g/mol. Its IUPAC name is (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name(2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID155567144
Molecular FormulaC17H12Cl2N4O3
Molecular Weight391.21 g/mol
Exact Mass390.03
IUPAC Name(2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(/C=C1/Nc2cc(Cl)c(Cl)cc2NC1=O)N/N=C/c1ccccc1O
InChIInChI=1S/C17H12Cl2N4O3/c18-10-5-12-13(6-11(10)19)22-17(26)14(21-12)7-16(25)23-20-8-9-3-1-2-4-15(9)24/h1-8,21,24H,(H,22,26)(H,23,25)/b14-7+,20-8+
InChIKeyBXBWARFTKSNDEJ-BOQZEXEDSA-N
XLogP3.10
TPSA102.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.21
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 155567144) is (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(/C=C1/Nc2cc(Cl)c(Cl)cc2NC1=O)N/N=C/c1ccccc1O.
What is the InChIKey of (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is BXBWARFTKSNDEJ-BOQZEXEDSA-N. The full InChI is InChI=1S/C17H12Cl2N4O3/c18-10-5-12-13(6-11(10)19)22-17(26)14(21-12)7-16(25)23-20-8-9-3-1-2-4-15(9)24/h1-8,21,24H,(H,22,26)(H,23,25)/b14-7+,20-8+.
What are the key properties of (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
(2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 391.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(6,7-dichloro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 155567144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).