7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione

C20H19Cl2N3O3 — CID 170347525

IUPAC7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCC(Oc3cccc(Cl)c3)CC2)c2ncc(Cl)cc21
InChIInChI=1S/C20H19Cl2N3O3/c1-24-17-10-13(22)11-23-18(17)25(20(27)19(24)26)14-5-7-15(8-6-14)28-16-4-2-3-12(21)9-16/h2-4,9-11,14-15H,5-8H2,1H3
InChIKeyQFIDRALTNPAXIW-UHFFFAOYSA-N
MW420.30 g/mol
LogP3.96
Rot. Bonds3

About 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione

7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 170347525) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
PubChem CID170347525
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione
SMILESCn1c(=O)c(=O)n(C2CCC(Oc3cccc(Cl)c3)CC2)c2ncc(Cl)cc21
InChIInChI=1S/C20H19Cl2N3O3/c1-24-17-10-13(22)11-23-18(17)25(20(27)19(24)26)14-5-7-15(8-6-14)28-16-4-2-3-12(21)9-16/h2-4,9-11,14-15H,5-8H2,1H3
InChIKeyQFIDRALTNPAXIW-UHFFFAOYSA-N
XLogP3.96
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione (CID 170347525) is 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione is Cn1c(=O)c(=O)n(C2CCC(Oc3cccc(Cl)c3)CC2)c2ncc(Cl)cc21.
What is the InChIKey of 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is QFIDRALTNPAXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-24-17-10-13(22)11-23-18(17)25(20(27)19(24)26)14-5-7-15(8-6-14)28-16-4-2-3-12(21)9-16/h2-4,9-11,14-15H,5-8H2,1H3.
What are the key properties of 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione?
7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 420.30 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[4-(3-chlorophenoxy)cyclohexyl]-1-methylpyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 170347525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).