N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

C22H24N4O2 — CID 9299745

IUPACN-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H24N4O2/c27-21(16-26-20-8-4-3-7-19(20)23-15-22(26)28)24-17-9-11-18(12-10-17)25-13-5-1-2-6-14-25/h3-4,7-12,15H,1-2,5-6,13-14,16H2,(H,24,27)
InChIKeyKSCCQMAOXXCWEF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.42
Rot. Bonds4

About N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide

N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (PubChem CID 9299745) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
PubChem CID9299745
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H24N4O2/c27-21(16-26-20-8-4-3-7-19(20)23-15-22(26)28)24-17-9-11-18(12-10-17)25-13-5-1-2-6-14-25/h3-4,7-12,15H,1-2,5-6,13-14,16H2,(H,24,27)
InChIKeyKSCCQMAOXXCWEF-UHFFFAOYSA-N
XLogP3.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxoquinoxalin-1-yl)-N-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]phenyl]acetamide
CID 166181883
2-(2-oxoquinoxalin-1-yl)-N-phenylacetamide
CID 4805436
methyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 26098218
N-[4-(azepan-1-yl)phenyl]-2-(benzotriazol-1-yl)acetamide
CID 17421387
N-(4-butylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 35013689
N-(2,6-difluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023290
2-(2-oxoquinoxalin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 8891989
N-[3-(hydroxymethyl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 110877124
N-(3-acetylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 2711463
2-(2-oxoquinoxalin-1-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 27168668
N-(2-fluorophenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 8023095
butyl 4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]benzoate
CID 2469455

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide (CID 9299745) is N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
The InChIKey is KSCCQMAOXXCWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(16-26-20-8-4-3-7-19(20)23-15-22(26)28)24-17-9-11-18(12-10-17)25-13-5-1-2-6-14-25/h3-4,7-12,15H,1-2,5-6,13-14,16H2,(H,24,27).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide?
N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide has a molecular weight of 376.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-(2-oxoquinoxalin-1-yl)acetamide is sourced from PubChem (CID 9299745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).