benzyl (2,3-dichloroquinoxalin-6-yl) carbonate

C16H10Cl2N2O3 — CID 88658068

IUPACbenzyl (2,3-dichloroquinoxalin-6-yl) carbonate
SMILESO=C(OCc1ccccc1)Oc1ccc2nc(Cl)c(Cl)nc2c1
InChIInChI=1S/C16H10Cl2N2O3/c17-14-15(18)20-13-8-11(6-7-12(13)19-14)23-16(21)22-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPHNLJMAEBYZHPA-UHFFFAOYSA-N
MW349.17 g/mol
LogP4.65
Rot. Bonds3

About benzyl (2,3-dichloroquinoxalin-6-yl) carbonate

benzyl (2,3-dichloroquinoxalin-6-yl) carbonate (PubChem CID 88658068) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is benzyl (2,3-dichloroquinoxalin-6-yl) carbonate.

Molecular Properties

Compound Namebenzyl (2,3-dichloroquinoxalin-6-yl) carbonate
PubChem CID88658068
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC Namebenzyl (2,3-dichloroquinoxalin-6-yl) carbonate
SMILESO=C(OCc1ccccc1)Oc1ccc2nc(Cl)c(Cl)nc2c1
InChIInChI=1S/C16H10Cl2N2O3/c17-14-15(18)20-13-8-11(6-7-12(13)19-14)23-16(21)22-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyPHNLJMAEBYZHPA-UHFFFAOYSA-N
XLogP4.65
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

benzyl (3-chloro-5-phenylmethoxycarbonyloxy-2-pyridinyl) carbonate
CID 22363155
benzyl (4-methylphenyl) carbonate
CID 118690287
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
benzyl (4-formylphenyl) carbonate
CID 11334337
benzyl (2,4,6-trichlorophenyl) carbonate
CID 165347479
benzyl [8-[(E)-3-oxobut-1-enyl]naphthalen-2-yl] carbonate
CID 176830359
benzyl phenylmethoxycarbonyl carbonate
CID 3649378
benzyl phenylmethoxycarbonyloxy carbonate;carbonic acid
CID 160645724
[6-(phenoxycarbonyloxymethyl)-2-pyridinyl]methyl phenyl carbonate
CID 165352260
benzyl (4-chloro-2-oxopyrano[2,3-b]pyridin-7-yl) carbonate
CID 138498506
ethyl (6-methylphenanthridin-8-yl) carbonate
CID 131861123
benzyl carbonochloridate
CID 10387

Frequently Asked Questions

What is the IUPAC name of benzyl (2,3-dichloroquinoxalin-6-yl) carbonate?
The IUPAC name of benzyl (2,3-dichloroquinoxalin-6-yl) carbonate (CID 88658068) is benzyl (2,3-dichloroquinoxalin-6-yl) carbonate.
What is the SMILES notation for benzyl (2,3-dichloroquinoxalin-6-yl) carbonate?
The canonical SMILES for benzyl (2,3-dichloroquinoxalin-6-yl) carbonate is O=C(OCc1ccccc1)Oc1ccc2nc(Cl)c(Cl)nc2c1.
What is the InChIKey of benzyl (2,3-dichloroquinoxalin-6-yl) carbonate?
The InChIKey is PHNLJMAEBYZHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c17-14-15(18)20-13-8-11(6-7-12(13)19-14)23-16(21)22-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of benzyl (2,3-dichloroquinoxalin-6-yl) carbonate?
benzyl (2,3-dichloroquinoxalin-6-yl) carbonate has a molecular weight of 349.17 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2,3-dichloroquinoxalin-6-yl) carbonate is sourced from PubChem (CID 88658068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).