2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline

C15H18ClN3O2 — CID 90367686

IUPAC2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline
SMILESCOc1ccc2nc(Cl)c(O[C@@H]3C[C@@H](C)N(C)C3)nc2c1
InChIInChI=1S/C15H18ClN3O2/c1-9-6-11(8-19(9)2)21-15-14(16)17-12-5-4-10(20-3)7-13(12)18-15/h4-5,7,9,11H,6,8H2,1-3H3/t9-,11-/m1/s1
InChIKeyOVMIJSBRXLDWDB-MWLCHTKSSA-N
MW307.78 g/mol
LogP2.76
Rot. Bonds3

About 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline

2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline (PubChem CID 90367686) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline.

Molecular Properties

Compound Name2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline
PubChem CID90367686
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline
SMILESCOc1ccc2nc(Cl)c(O[C@@H]3C[C@@H](C)N(C)C3)nc2c1
InChIInChI=1S/C15H18ClN3O2/c1-9-6-11(8-19(9)2)21-15-14(16)17-12-5-4-10(20-3)7-13(12)18-15/h4-5,7,9,11H,6,8H2,1-3H3/t9-,11-/m1/s1
InChIKeyOVMIJSBRXLDWDB-MWLCHTKSSA-N
XLogP2.76
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline with MolForge

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Related Compounds

carbon dioxide;2-chloro-3-[(5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methylquinoxaline
CID 158956511
methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidin-1-ium-2-carboxylate
CID 144537760
(2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 87561426
methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidine-2-carboxylate
CID 58428450
(2S)-2-[[(1R,2R)-2-[5-[3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxalin-2-yl]pentyl]cyclopropyl]oxycarbonylamino]-3,3-dimethylbutanoic acid
CID 90367690
(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 137368071
tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate
CID 123247499
methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2S)-3,3-dimethyl-2-[[(1R,2R)-2-pent-4-enylcyclopropyl]oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 78358296
methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2R)-3-iodo-3-methyl-2-[[(1R,2R,5R)-2-methyl-5-pent-4-enylcyclopentyl]oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 144710482
1-O-tert-butyl 2-O-methyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-cyclopropylpyrrolidine-1,2-dicarboxylate
CID 123790956
1-O-tert-butyl 2-O-methyl (2S,4R)-4-(3,7-dichloroquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylate
CID 90442339
methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2S)-3,3-dimethyl-2-[[(2S,3R,5R)-3-pent-4-enyl-2-bicyclo[3.1.0]hexanyl]oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylate
CID 129014290

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline?
The IUPAC name of 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline (CID 90367686) is 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline.
What is the SMILES notation for 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline?
The canonical SMILES for 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline is COc1ccc2nc(Cl)c(O[C@@H]3C[C@@H](C)N(C)C3)nc2c1.
What is the InChIKey of 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline?
The InChIKey is OVMIJSBRXLDWDB-MWLCHTKSSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-9-6-11(8-19(9)2)21-15-14(16)17-12-5-4-10(20-3)7-13(12)18-15/h4-5,7,9,11H,6,8H2,1-3H3/t9-,11-/m1/s1.
What are the key properties of 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline?
2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline has a molecular weight of 307.78 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[(3R,5R)-1,5-dimethylpyrrolidin-3-yl]oxy-6-methoxyquinoxaline is sourced from PubChem (CID 90367686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).