2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide

C15H16ClN3O3 — CID 136555397

IUPAC2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccc(Cl)cc21)NC1CCOCC1
InChIInChI=1S/C15H16ClN3O3/c16-10-1-2-12-13(7-10)19(15(21)8-17-12)9-14(20)18-11-3-5-22-6-4-11/h1-2,7-8,11H,3-6,9H2,(H,18,20)
InChIKeyYADIUISAFINOFJ-UHFFFAOYSA-N
MW321.76 g/mol
LogP1.35
Rot. Bonds3

About 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide

2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide (PubChem CID 136555397) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide
PubChem CID136555397
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide
SMILESO=C(Cn1c(=O)cnc2ccc(Cl)cc21)NC1CCOCC1
InChIInChI=1S/C15H16ClN3O3/c16-10-1-2-12-13(7-10)19(15(21)8-17-12)9-14(20)18-11-3-5-22-6-4-11/h1-2,7-8,11H,3-6,9H2,(H,18,20)
InChIKeyYADIUISAFINOFJ-UHFFFAOYSA-N
XLogP1.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-cyclopropylacetamide
CID 8986163
2-(2-oxoquinoxalin-1-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95136993
2-(3-chloro-2-oxopyrazin-1-yl)-N-(oxan-4-yl)acetamide
CID 114561538
2-(6-chloroindazol-1-yl)-N-cyclohexylacetamide
CID 22510003
2-(3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(oxan-4-yl)acetamide
CID 63811876
2-(2,4-dichloroanilino)-N-(oxan-4-yl)acetamide
CID 63100059
2-(2-ethylbenzimidazol-1-yl)-N-(oxan-4-yl)acetamide
CID 115588669
2-(4-aminopyrazol-1-yl)-N-(oxan-4-yl)acetamide
CID 43609571
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
2-[7-chloro-3-(2,4-difluorophenyl)-2,4-dioxoquinazolin-1-yl]-N-cyclopropylacetamide
CID 42811200
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide (CID 136555397) is 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide is O=C(Cn1c(=O)cnc2ccc(Cl)cc21)NC1CCOCC1.
What is the InChIKey of 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide?
The InChIKey is YADIUISAFINOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c16-10-1-2-12-13(7-10)19(15(21)8-17-12)9-14(20)18-11-3-5-22-6-4-11/h1-2,7-8,11H,3-6,9H2,(H,18,20).
What are the key properties of 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide?
2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide has a molecular weight of 321.76 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-2-oxoquinoxalin-1-yl)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 136555397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).