carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline

C16H18ClN3O3 — CID 158956511

IUPACcarbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline
SMILESCc1ccc2nc(Cl)c(OC3C[C@@H](C)N(C)C3)nc2c1.O=C=O
InChIInChI=1S/C15H18ClN3O.CO2/c1-9-4-5-12-13(6-9)18-15(14(16)17-12)20-11-7-10(2)19(3)8-11;2-1-3/h4-6,10-11H,7-8H2,1-3H3;/t10-,11?;/m1./s1
InChIKeyJMBLAPOAUTXRHF-QUUNXCOLSA-N
MW335.79 g/mol
LogP2.48
Rot. Bonds2

About carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline

carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline (PubChem CID 158956511) has the molecular formula C16H18ClN3O3 and a molecular weight of 335.79 g/mol. Its IUPAC name is carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline.

Molecular Properties

Compound Namecarbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline
PubChem CID158956511
Molecular FormulaC16H18ClN3O3
Molecular Weight335.79 g/mol
Exact Mass335.10
IUPAC Namecarbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline
SMILESCc1ccc2nc(Cl)c(OC3C[C@@H](C)N(C)C3)nc2c1.O=C=O
InChIInChI=1S/C15H18ClN3O.CO2/c1-9-4-5-12-13(6-9)18-15(14(16)17-12)20-11-7-10(2)19(3)8-11;2-1-3/h4-6,10-11H,7-8H2,1-3H3;/t10-,11?;/m1./s1
InChIKeyJMBLAPOAUTXRHF-QUUNXCOLSA-N
XLogP2.48
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline?
The IUPAC name of carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline (CID 158956511) is carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline.
What is the SMILES notation for carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline?
The canonical SMILES for carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline is Cc1ccc2nc(Cl)c(OC3C[C@@H](C)N(C)C3)nc2c1.O=C=O.
What is the InChIKey of carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline?
The InChIKey is JMBLAPOAUTXRHF-QUUNXCOLSA-N. The full InChI is InChI=1S/C15H18ClN3O.CO2/c1-9-4-5-12-13(6-9)18-15(14(16)17-12)20-11-7-10(2)19(3)8-11;2-1-3/h4-6,10-11H,7-8H2,1-3H3;/t10-,11?;/m1./s1.
What are the key properties of carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline?
carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline has a molecular weight of 335.79 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline is sourced from PubChem (CID 158956511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).