N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide

C18H22N4O2 — CID 30177987

IUPACN-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
SMILESO=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCOCC1
InChIInChI=1S/C18H22N4O2/c23-18(13-7-11-24-12-8-13)21-16-17(22-9-3-4-10-22)20-15-6-2-1-5-14(15)19-16/h1-2,5-6,13H,3-4,7-12H2,(H,19,21,23)
InChIKeyGNHBGJWLIYMSGL-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.60
Rot. Bonds3

About N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide

N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide (PubChem CID 30177987) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
PubChem CID30177987
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide
SMILESO=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCOCC1
InChIInChI=1S/C18H22N4O2/c23-18(13-7-11-24-12-8-13)21-16-17(22-9-3-4-10-22)20-15-6-2-1-5-14(15)19-16/h1-2,5-6,13H,3-4,7-12H2,(H,19,21,23)
InChIKeyGNHBGJWLIYMSGL-UHFFFAOYSA-N
XLogP2.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclobutanecarboxamide
CID 51317617
2-(oxan-4-yl)-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 126766134
(3R,5S)-5-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxolane-3-carboxamide
CID 100651271
cis-(1R,2S)-2-methyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)cyclopropane-1-carboxamide
CID 95934685
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-methoxy-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 51076151
N-(4-pyrrolidin-1-ylphenyl)oxane-4-carboxamide
CID 30795120
4-cyano-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 46683878
4-methyl-3-morpholin-4-ylsulfonyl-N-(3-pyrrolidin-1-ylquinoxalin-2-yl)benzamide
CID 55497201
1-[3-(methylamino)quinoxalin-2-yl]piperidine-4-carboxylic acid
CID 71648035

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide?
The IUPAC name of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide (CID 30177987) is N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide.
What is the SMILES notation for N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide?
The canonical SMILES for N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide is O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCOCC1.
What is the InChIKey of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide?
The InChIKey is GNHBGJWLIYMSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-18(13-7-11-24-12-8-13)21-16-17(22-9-3-4-10-22)20-15-6-2-1-5-14(15)19-16/h1-2,5-6,13H,3-4,7-12H2,(H,19,21,23).
What are the key properties of N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide?
N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-1-ylquinoxalin-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 30177987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).