cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide

C17H20N4O — CID 95934685

IUPACcis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C17H20N4O/c1-11-10-12(11)17(22)20-15-16(21-8-4-5-9-21)19-14-7-3-2-6-13(14)18-15/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,18,20,22)/t11-,12+/m0/s1
InChIKeyWDZNABXPIMDGNG-NWDGAFQWSA-N
MW296.37 g/mol
LogP2.82
Rot. Bonds3

About cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide (PubChem CID 95934685) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
PubChem CID95934685
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Namecis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)Nc1nc2ccccc2nc1N1CCCC1
InChIInChI=1S/C17H20N4O/c1-11-10-12(11)17(22)20-15-16(21-8-4-5-9-21)19-14-7-3-2-6-13(14)18-15/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,18,20,22)/t11-,12+/m0/s1
InChIKeyWDZNABXPIMDGNG-NWDGAFQWSA-N
XLogP2.82
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
CID 100651271
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
CID 30177987
5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 55608009
3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
CID 30709253
2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 102557367
1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 154759959
2-(4-acetamidophenyl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 24590254
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55623134
4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide (CID 95934685) is cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)Nc1nc2ccccc2nc1N1CCCC1.
What is the InChIKey of cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide?
The InChIKey is WDZNABXPIMDGNG-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11-10-12(11)17(22)20-15-16(21-8-4-5-9-21)19-14-7-3-2-6-13(14)18-15/h2-3,6-7,11-12H,4-5,8-10H2,1H3,(H,18,20,22)/t11-,12+/m0/s1.
What are the key properties of cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95934685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).