(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

C13H17N3O3 — CID 106669665

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESO=C(c1cccc2c1NCCN2)N1CC(O)C(O)C1
InChIInChI=1S/C13H17N3O3/c17-10-6-16(7-11(10)18)13(19)8-2-1-3-9-12(8)15-5-4-14-9/h1-3,10-11,14-15,17-18H,4-7H2
InChIKeyFVTJVJCOQPRONQ-UHFFFAOYSA-N
MW263.30 g/mol
LogP-0.30
Rot. Bonds1

About (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (PubChem CID 106669665) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
PubChem CID106669665
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
SMILESO=C(c1cccc2c1NCCN2)N1CC(O)C(O)C1
InChIInChI=1S/C13H17N3O3/c17-10-6-16(7-11(10)18)13(19)8-2-1-3-9-12(8)15-5-4-14-9/h1-3,10-11,14-15,17-18H,4-7H2
InChIKeyFVTJVJCOQPRONQ-UHFFFAOYSA-N
XLogP-0.30
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-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-(dimethylamino)-4-methylpyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104615194
(3-methoxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 103533851
N-[1-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 104615269
(4-ethoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104614674
1-methyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615092
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
(3-methoxy-3-methylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 107392798
3,3-dimethyl-4-(1,2,3,4-tetrahydroquinoxaline-5-carbonyl)piperazin-2-one
CID 104615006
2-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]benzoic acid
CID 107214692
(2-ethylazepan-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 104689965
(2-fluorophenyl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone
CID 57287537
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone (CID 106669665) is (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is O=C(c1cccc2c1NCCN2)N1CC(O)C(O)C1.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
The InChIKey is FVTJVJCOQPRONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-10-6-16(7-11(10)18)13(19)8-2-1-3-9-12(8)15-5-4-14-9/h1-3,10-11,14-15,17-18H,4-7H2.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone has a molecular weight of 263.30 g/mol, XLogP of -0.30, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(1,2,3,4-tetrahydroquinoxalin-5-yl)methanone is sourced from PubChem (CID 106669665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).