4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one

C19H13Br2N3O3 — CID 17450632

IUPAC4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2c(Br)cc(Br)c3cccnc23)c2ccccc2N1
InChIInChI=1S/C19H13Br2N3O3/c20-12-8-13(21)19(18-11(12)4-3-7-22-18)27-10-17(26)24-9-16(25)23-14-5-1-2-6-15(14)24/h1-8H,9-10H2,(H,23,25)
InChIKeyNOEXPFIGACOGJV-UHFFFAOYSA-N
MW491.14 g/mol
LogP4.12
Rot. Bonds3

About 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one

4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one (PubChem CID 17450632) has the molecular formula C19H13Br2N3O3 and a molecular weight of 491.14 g/mol. Its IUPAC name is 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
PubChem CID17450632
Molecular FormulaC19H13Br2N3O3
Molecular Weight491.14 g/mol
Exact Mass488.93
IUPAC Name4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)COc2c(Br)cc(Br)c3cccnc23)c2ccccc2N1
InChIInChI=1S/C19H13Br2N3O3/c20-12-8-13(21)19(18-11(12)4-3-7-22-18)27-10-17(26)24-9-16(25)23-14-5-1-2-6-15(14)24/h1-8H,9-10H2,(H,23,25)
InChIKeyNOEXPFIGACOGJV-UHFFFAOYSA-N
XLogP4.12
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.14
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[methyl-(2-quinolin-8-yloxyacetyl)amino]acetamide
CID 2451027
2-(5,7-Dibromoquinolin-8-yl)oxy-1-(2-ethylpiperidin-1-yl)ethanone
CID 4836291
N-(2-Morpholinophenyl)-2-(quinolin-8-yloxy)acetamide
CID 4879545
5,7-Dibromoquinolin-8-yl piperidine-1-carboxylate
CID 1186390
2-(4-bromophenoxy)-N-quinolin-8-ylacetamide
CID 1254573
N-(2-cyanophenyl)-2-[(5,7-dibromo-8-quinolinyl)oxy]acetamide
CID 2350978
2-(5,7-dibromoquinolin-8-yl)oxy-N-(2-fluorophenyl)acetamide
CID 2358129
2-(5,7-Dibromoquinolin-8-yl)oxy-1-piperidin-1-ylethanone
CID 2370216
2-(5,7-dibromoquinolin-8-yl)oxy-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2389139
4-[(5,7-dibromo-8-quinolyl)oxy]-N,N-diethyl-3-methyl-butan-1-amine
CID 71517724
N-[(E)-(4-bromophenyl)methylideneamino]-2-(5,7-dibromoquinolin-8-yl)oxyacetamide
CID 72197500
2-(5,7-dibromoquinolin-8-yl)oxy-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 72197501

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one (CID 17450632) is 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)COc2c(Br)cc(Br)c3cccnc23)c2ccccc2N1.
What is the InChIKey of 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
The InChIKey is NOEXPFIGACOGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Br2N3O3/c20-12-8-13(21)19(18-11(12)4-3-7-22-18)27-10-17(26)24-9-16(25)23-14-5-1-2-6-15(14)24/h1-8H,9-10H2,(H,23,25).
What are the key properties of 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one?
4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one has a molecular weight of 491.14 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5,7-dibromoquinolin-8-yl)oxyacetyl]-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 17450632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).