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

C16H23N3O — CID 104615300

IUPAC(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccc3c(c2)NCCN3)C1
InChIInChI=1S/C16H23N3O/c1-2-3-12-6-9-19(11-12)16(20)13-4-5-14-15(10-13)18-8-7-17-14/h4-5,10,12,17-18H,2-3,6-9,11H2,1H3
InChIKeyOUAUJRKSMCHVHF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.79
Rot. Bonds3

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

(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone (PubChem CID 104615300) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone.

Molecular Properties

Compound Name(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
PubChem CID104615300
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
SMILESCCCC1CCN(C(=O)c2ccc3c(c2)NCCN3)C1
InChIInChI=1S/C16H23N3O/c1-2-3-12-6-9-19(11-12)16(20)13-4-5-14-15(10-13)18-8-7-17-14/h4-5,10,12,17-18H,2-3,6-9,11H2,1H3
InChIKeyOUAUJRKSMCHVHF-UHFFFAOYSA-N
XLogP2.79
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-propylpyrrolidin-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

4-(3-propylpyrrolidine-1-carbonyl)benzoic acid
CID 112700698
(3-hydroxy-4-methoxyphenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 112696542
(4-amino-3-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 113416770
pyrrolidin-1-yl(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 96599561
(4-fluorophenyl)-(3-propylpiperidin-1-yl)methanone
CID 23552315
4-(3-propylpiperidine-1-carbonyl)benzamide
CID 119163399
1,2,3,4-tetrahydroquinoxalin-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114537100
(3-bromo-5-chlorophenyl)-(3-propylpyrrolidin-1-yl)methanone
CID 103826985
(3,4-dihydroxyphenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 103957455
(4-amino-3-methoxyphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114796729
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4-dihydroxyphenyl)methanone
CID 107729109

Frequently Asked Questions

What is the IUPAC name of (3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The IUPAC name of (3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone (CID 104615300) is (3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone.
What is the SMILES notation for (3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The canonical SMILES for (3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone is CCCC1CCN(C(=O)c2ccc3c(c2)NCCN3)C1.
What is the InChIKey of (3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
The InChIKey is OUAUJRKSMCHVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-3-12-6-9-19(11-12)16(20)13-4-5-14-15(10-13)18-8-7-17-14/h4-5,10,12,17-18H,2-3,6-9,11H2,1H3.
What are the key properties of (3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone?
(3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone has a molecular weight of 273.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylpyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone is sourced from PubChem (CID 104615300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).