(2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide

C17H13ClN6O — CID 10450692

IUPAC(2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C=C2\Nc3cc(Cl)ccc3-n3nnnc32)cc1
InChIInChI=1S/C17H13ClN6O/c1-10-2-5-12(6-3-10)19-16(25)9-14-17-21-22-23-24(17)15-7-4-11(18)8-13(15)20-14/h2-9,20H,1H3,(H,19,25)/b14-9-
InChIKeyNZZNFJWWBXJRRB-ZROIWOOFSA-N
MW352.79 g/mol
LogP3.03
Rot. Bonds2

About (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide

(2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide (PubChem CID 10450692) has the molecular formula C17H13ClN6O and a molecular weight of 352.79 g/mol. Its IUPAC name is (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide
PubChem CID10450692
Molecular FormulaC17H13ClN6O
Molecular Weight352.79 g/mol
Exact Mass352.08
IUPAC Name(2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)/C=C2\Nc3cc(Cl)ccc3-n3nnnc32)cc1
InChIInChI=1S/C17H13ClN6O/c1-10-2-5-12(6-3-10)19-16(25)9-14-17-21-22-23-24(17)15-7-4-11(18)8-13(15)20-14/h2-9,20H,1H3,(H,19,25)/b14-9-
InChIKeyNZZNFJWWBXJRRB-ZROIWOOFSA-N
XLogP3.03
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.79
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide?
The IUPAC name of (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide (CID 10450692) is (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide?
The canonical SMILES for (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)/C=C2\Nc3cc(Cl)ccc3-n3nnnc32)cc1.
What is the InChIKey of (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide?
The InChIKey is NZZNFJWWBXJRRB-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H13ClN6O/c1-10-2-5-12(6-3-10)19-16(25)9-14-17-21-22-23-24(17)15-7-4-11(18)8-13(15)20-14/h2-9,20H,1H3,(H,19,25)/b14-9-.
What are the key properties of (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide?
(2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide has a molecular weight of 352.79 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(7-chloro-5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 10450692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).