cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

C15H17BrN2O3 — CID 142508064

IUPACcyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESO=C1CN(C(=O)OC2CCCCC2)c2cc(Br)ccc2N1
InChIInChI=1S/C15H17BrN2O3/c16-10-6-7-12-13(8-10)18(9-14(19)17-12)15(20)21-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,19)
InChIKeyJYUTXXZNGGKSSD-UHFFFAOYSA-N
MW353.22 g/mol
LogP3.68
Rot. Bonds1

About cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate

cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate (PubChem CID 142508064) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Namecyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
PubChem CID142508064
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Namecyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
SMILESO=C1CN(C(=O)OC2CCCCC2)c2cc(Br)ccc2N1
InChIInChI=1S/C15H17BrN2O3/c16-10-6-7-12-13(8-10)18(9-14(19)17-12)15(20)21-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,19)
InChIKeyJYUTXXZNGGKSSD-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-cyclohexyl-1,3-dihydroquinoxalin-2-one
CID 117006333
methyl 7-fluoro-3-oxo-2,4-dihydroquinoxaline-1-carboxylate
CID 67835443
methyl 2-(7-bromo-3-oxo-2,4-dihydroquinoxalin-1-yl)acetate
CID 117030355
4-(4-bromo-2-chlorobenzoyl)-1,3-dihydroquinoxalin-2-one
CID 61059136
6-bromo-4-(piperidin-4-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117030329
6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117006335
6-bromo-4-[2-(dimethylamino)ethyl]-1,3-dihydroquinoxalin-2-one
CID 117006336
(8-bromo-3-fluoro-5,11-dihydropyrido[3,2-c][1,5]benzodiazepin-6-yl)-cyclohexylmethanone
CID 129102775
cyclooctyl-[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl]azanium
CID 9265031
4-(4-bromo-2-sulfanylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 107021932
6-bromo-4-(4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 79290624
4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 82953630

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The IUPAC name of cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate (CID 142508064) is cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate is O=C1CN(C(=O)OC2CCCCC2)c2cc(Br)ccc2N1.
What is the InChIKey of cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
The InChIKey is JYUTXXZNGGKSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c16-10-6-7-12-13(8-10)18(9-14(19)17-12)15(20)21-11-4-2-1-3-5-11/h6-8,11H,1-5,9H2,(H,17,19).
What are the key properties of cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate?
cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate has a molecular weight of 353.22 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 7-bromo-3-oxo-2,4-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 142508064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).