tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate

C19H24ClN3O4 — CID 123247499

IUPACtert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate
SMILESCOc1ccc2nc(Cl)c(OC3CNC(C(=O)OC(C)(C)C)C3C)nc2c1
InChIInChI=1S/C19H24ClN3O4/c1-10-14(9-21-15(10)18(24)27-19(2,3)4)26-17-16(20)22-12-7-6-11(25-5)8-13(12)23-17/h6-8,10,14-15,21H,9H2,1-5H3
InChIKeyXACAQUPEWUQUOC-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.99
Rot. Bonds4

About tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate

tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate (PubChem CID 123247499) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate
PubChem CID123247499
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Nametert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate
SMILESCOc1ccc2nc(Cl)c(OC3CNC(C(=O)OC(C)(C)C)C3C)nc2c1
InChIInChI=1S/C19H24ClN3O4/c1-10-14(9-21-15(10)18(24)27-19(2,3)4)26-17-16(20)22-12-7-6-11(25-5)8-13(12)23-17/h6-8,10,14-15,21H,9H2,1-5H3
InChIKeyXACAQUPEWUQUOC-UHFFFAOYSA-N
XLogP2.99
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (2S,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate
CID 163582202
2-methylpropyl (2S,3S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-ethylpyrrolidine-2-carboxylate
CID 129057844
2-methylpropyl (2S,3S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-propylpyrrolidine-2-carboxylate
CID 129057949
2-methylpropyl (2S,3S,4R)-3-benzyl-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidine-2-carboxylate
CID 129057883
1-O-tert-butyl 2-O-methyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-cyclopropylpyrrolidine-1,2-dicarboxylate
CID 123790956
4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-5-[(2R)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carboxylic acid
CID 137368272
2-methylpropyl (2S,4R)-4-[3-(1,1-difluoroprop-2-enyl)-7-methoxyquinoxalin-2-yl]oxy-3-methylpyrrolidine-2-carboxylate
CID 163814697
methyl (2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxypyrrolidine-2-carboxylate
CID 58428450
(2S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 87561426
CID 161229652
CID 161229652
tert-butyl (2S,3S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2S)-2-[[(1R,2R)-1-ethyl-2-pent-4-enylcyclopropyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carboxylate
CID 146047185
tert-butyl (2S,3S,4R)-4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-1-[(2S)-2-[[(1S,2S)-1-ethyl-2-pent-4-enylcyclopropyl]oxycarbonylamino]-3,3-dimethylbutanoyl]-3-methylpyrrolidine-2-carboxylate
CID 146047184

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate (CID 123247499) is tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate is COc1ccc2nc(Cl)c(OC3CNC(C(=O)OC(C)(C)C)C3C)nc2c1.
What is the InChIKey of tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate?
The InChIKey is XACAQUPEWUQUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O4/c1-10-14(9-21-15(10)18(24)27-19(2,3)4)26-17-16(20)22-12-7-6-11(25-5)8-13(12)23-17/h6-8,10,14-15,21H,9H2,1-5H3.
What are the key properties of tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate?
tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate has a molecular weight of 393.87 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-chloro-7-methoxyquinoxalin-2-yl)oxy-3-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 123247499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).