N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide

C17H20N4O — CID 51317617

IUPACN-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCC1
InChIInChI=1S/C17H20N4O/c22-17(12-6-5-7-12)20-15-16(21-10-3-4-11-21)19-14-9-2-1-8-13(14)18-15/h1-2,8-9,12H,3-7,10-11H2,(H,18,20,22)
InChIKeyNFBINGGJLXUUAM-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.97
Rot. Bonds3

About N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide

N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide (PubChem CID 51317617) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
PubChem CID51317617
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC NameN-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCC1
InChIInChI=1S/C17H20N4O/c22-17(12-6-5-7-12)20-15-16(21-10-3-4-11-21)19-14-9-2-1-8-13(14)18-15/h1-2,8-9,12H,3-7,10-11H2,(H,18,20,22)
InChIKeyNFBINGGJLXUUAM-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
CID 30177987
cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
CID 95934685
(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
CID 100651271
5-oxo-1-propan-2-yl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 55608009
1-benzyl-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 154759959
3-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)but-2-enamide
CID 30709253
2-(oxan-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 126766134
2-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878
1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid
CID 71648035
2-(3-methylcyclohexyl)oxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)propanamide
CID 102557367
(3S)-1-(3,4-dimethoxyphenyl)-5-oxo-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)pyrrolidine-3-carboxamide
CID 51653166

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide (CID 51317617) is N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide is O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide?
The InChIKey is NFBINGGJLXUUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(12-6-5-7-12)20-15-16(21-10-3-4-11-21)19-14-9-2-1-8-13(14)18-15/h1-2,8-9,12H,3-7,10-11H2,(H,18,20,22).
What are the key properties of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide?
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 51317617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).