4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide

C20H16ClN3O2 — CID 134106584

IUPAC4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide
SMILESC#CC(C)(C)NC(=O)c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H16ClN3O2/c1-4-20(2,3)24-19(25)13-5-8-15(9-6-13)26-18-12-22-17-11-14(21)7-10-16(17)23-18/h1,5-12H,2-3H3,(H,24,25)
InChIKeyPDFCRRAEBHGOCP-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.22
Rot. Bonds4

About 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide

4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide (PubChem CID 134106584) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide.

Molecular Properties

Compound Name4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide
PubChem CID134106584
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide
SMILESC#CC(C)(C)NC(=O)c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C20H16ClN3O2/c1-4-20(2,3)24-19(25)13-5-8-15(9-6-13)26-18-12-22-17-11-14(21)7-10-16(17)23-18/h1,5-12H,2-3H3,(H,24,25)
InChIKeyPDFCRRAEBHGOCP-UHFFFAOYSA-N
XLogP4.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-2-methoxyacetic acid
CID 70470458
(2R)-2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid
CID 3246729
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15070166
(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 138404247
4-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]pent-2-enyl 2,2-dimethylpropanoate
CID 57226897
(3-fluorophenyl)methyl 4-(6-chloroquinoxalin-2-yl)oxybenzoate
CID 175252031
2-(6-chloroquinoxalin-2-yl)oxy-2-phenoxypropanoic acid
CID 22420742
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-2-ethylhexanal
CID 56627761
2-[4-(6-chloroquinoxalin-2-yl)oxyphenoxy]-N-(6-cyano-5-nitro-2-pyridinyl)propanamide
CID 141423359
2-[2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoylamino]acetic acid
CID 68697669
2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanenitrile
CID 10592179
(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-N-ethoxymethanimine
CID 11820935

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide?
The IUPAC name of 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide (CID 134106584) is 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide.
What is the SMILES notation for 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide?
The canonical SMILES for 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide is C#CC(C)(C)NC(=O)c1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide?
The InChIKey is PDFCRRAEBHGOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-4-20(2,3)24-19(25)13-5-8-15(9-6-13)26-18-12-22-17-11-14(21)7-10-16(17)23-18/h1,5-12H,2-3H3,(H,24,25).
What are the key properties of 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide?
4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide has a molecular weight of 365.82 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroquinoxalin-2-yl)oxy-N-(2-methylbut-3-yn-2-yl)benzamide is sourced from PubChem (CID 134106584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).