pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone

C13H17N3O — CID 96599561

IUPACpyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)NCCN2)N1CCCC1
InChIInChI=1S/C13H17N3O/c17-13(16-7-1-2-8-16)10-3-4-11-12(9-10)15-6-5-14-11/h3-4,9,14-15H,1-2,5-8H2
InChIKeyKQTHGNKZHDMDNS-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.76
Rot. Bonds1

About pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone

pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone (PubChem CID 96599561) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
PubChem CID96599561
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Namepyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
SMILESO=C(c1ccc2c(c1)NCCN2)N1CCCC1
InChIInChI=1S/C13H17N3O/c17-13(16-7-1-2-8-16)10-3-4-11-12(9-10)15-6-5-14-11/h3-4,9,14-15H,1-2,5-8H2
InChIKeyKQTHGNKZHDMDNS-UHFFFAOYSA-N
XLogP1.76
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone 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

(3,3-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615061
1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114537100
piperidin-1-yl(spiro[3,4-dihydro-1H-quinoxaline-2,1'-cyclooctane]-6-yl)methanone
CID 146356886
1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 69495489
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615113
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104615300
1,4-oxazepan-4-yl(1,2,3,4-tetrahydroquinolin-6-yl)methanone
CID 62973285
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
2,3-dihydro-1H-indol-6-yl(morpholin-4-yl)methanone
CID 90299623
1-[4-(2,3-dihydro-1H-indole-5-carbonyl)piperazin-1-yl]ethanone
CID 60893291
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone (CID 96599561) is pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone is O=C(c1ccc2c(c1)NCCN2)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The InChIKey is KQTHGNKZHDMDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c17-13(16-7-1-2-8-16)10-3-4-11-12(9-10)15-6-5-14-11/h3-4,9,14-15H,1-2,5-8H2.
What are the key properties of pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone has a molecular weight of 231.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone is sourced from PubChem (CID 96599561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).