phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate

C16H11Cl2N3O3 — CID 142700547

IUPACphenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate
SMILESCOc1nc2c(Cl)cc(Cl)cc2nc1NC(=O)Oc1ccccc1
InChIInChI=1S/C16H11Cl2N3O3/c1-23-15-14(21-16(22)24-10-5-3-2-4-6-10)19-12-8-9(17)7-11(18)13(12)20-15/h2-8H,1H3,(H,19,21,22)
InChIKeyRXYJKFUPHUOHFU-UHFFFAOYSA-N
MW364.19 g/mol
LogP4.56
Rot. Bonds3

About phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate

phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate (PubChem CID 142700547) has the molecular formula C16H11Cl2N3O3 and a molecular weight of 364.19 g/mol. Its IUPAC name is phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate
PubChem CID142700547
Molecular FormulaC16H11Cl2N3O3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Namephenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate
SMILESCOc1nc2c(Cl)cc(Cl)cc2nc1NC(=O)Oc1ccccc1
InChIInChI=1S/C16H11Cl2N3O3/c1-23-15-14(21-16(22)24-10-5-3-2-4-6-10)19-12-8-9(17)7-11(18)13(12)20-15/h2-8H,1H3,(H,19,21,22)
InChIKeyRXYJKFUPHUOHFU-UHFFFAOYSA-N
XLogP4.56
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate?
The IUPAC name of phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate (CID 142700547) is phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate.
What is the SMILES notation for phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate?
The canonical SMILES for phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate is COc1nc2c(Cl)cc(Cl)cc2nc1NC(=O)Oc1ccccc1.
What is the InChIKey of phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate?
The InChIKey is RXYJKFUPHUOHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3/c1-23-15-14(21-16(22)24-10-5-3-2-4-6-10)19-12-8-9(17)7-11(18)13(12)20-15/h2-8H,1H3,(H,19,21,22).
What are the key properties of phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate?
phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate has a molecular weight of 364.19 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(5,7-dichloro-3-methoxyquinoxalin-2-yl)carbamate is sourced from PubChem (CID 142700547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).