4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione

C15H12ClN3O3 — CID 155343707

IUPAC4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCCOc1ccc2[nH]c(=O)c(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C15H12ClN3O3/c1-2-22-12-8-7-11-13(18-12)19(15(21)14(20)17-11)10-5-3-9(16)4-6-10/h3-8H,2H2,1H3,(H,17,20)
InChIKeyYPHOXMUWCASIKJ-UHFFFAOYSA-N
MW317.73 g/mol
LogP2.13
Rot. Bonds3

About 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione

4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 155343707) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione
PubChem CID155343707
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione
SMILESCCOc1ccc2[nH]c(=O)c(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C15H12ClN3O3/c1-2-22-12-8-7-11-13(18-12)19(15(21)14(20)17-11)10-5-3-9(16)4-6-10/h3-8H,2H2,1H3,(H,17,20)
InChIKeyYPHOXMUWCASIKJ-UHFFFAOYSA-N
XLogP2.13
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 20565456
4-(4-methoxyphenyl)-1H-pyrido[2,3-b]pyrazine-2,3-dione
CID 20565458
methyl 4-amino-1-(4-aminophenyl)-7-ethoxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 169207220
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-1,8-naphthyridin-2-one
CID 175776316
2-(2,5-dichlorophenyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79816142
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(4-methoxyphenyl)-1,8-naphthyridin-2-one
CID 155347702
5-chloro-2-ethoxypyridine
CID 4738274
6-chloro-7-(4-ethoxyphenyl)-2-methyl-9H-purin-8-one
CID 132588196
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[3,4-c][1,8]naphthyridin-4-one
CID 171431871
5-[4-(difluoromethoxy)phenyl]-7-ethoxy-[1,2]oxazolo[5,4-c][1,8]naphthyridin-4-one
CID 171431864
1-[4-(difluoromethoxy)phenyl]-7-ethoxy-3-(6-oxo-1H-pyridin-3-yl)-1,8-naphthyridin-2-one
CID 156805156
2-chloro-1-(4-chlorophenyl)-9-ethylpurin-6-one
CID 67240540

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione (CID 155343707) is 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione is CCOc1ccc2[nH]c(=O)c(=O)n(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is YPHOXMUWCASIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-2-22-12-8-7-11-13(18-12)19(15(21)14(20)17-11)10-5-3-9(16)4-6-10/h3-8H,2H2,1H3,(H,17,20).
What are the key properties of 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione?
4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 317.73 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-ethoxy-1H-pyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 155343707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).