(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone

C14H15N3O2 — CID 103727060

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
SMILESCC1(O)CCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C14H15N3O2/c1-14(19)6-7-17(9-14)13(18)12-8-15-10-4-2-3-5-11(10)16-12/h2-5,8,19H,6-7,9H2,1H3
InChIKeyKGHAGEFCWZGFGB-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.23
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone (PubChem CID 103727060) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
PubChem CID103727060
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone
SMILESCC1(O)CCN(C(=O)c2cnc3ccccc3n2)C1
InChIInChI=1S/C14H15N3O2/c1-14(19)6-7-17(9-14)13(18)12-8-15-10-4-2-3-5-11(10)16-12/h2-5,8,19H,6-7,9H2,1H3
InChIKeyKGHAGEFCWZGFGB-UHFFFAOYSA-N
XLogP1.23
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone 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-hydroxy-3-methylpyrrolidin-1-yl)-[4-(methylamino)quinolin-2-yl]methanone
CID 103358198
(5-bromo-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727006
(4-hydrazinylquinolin-2-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358352
(5-chloro-2-pyridinyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103727395
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-quinoxalin-2-ylmethanone
CID 39952041
(4-chloroquinolin-2-yl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81096876
(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride
CID 119576327
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-quinoxalin-2-ylmethanone
CID 163310783
(3-hydroxy-3-methylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 103726762
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone (CID 103727060) is (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone is CC1(O)CCN(C(=O)c2cnc3ccccc3n2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone?
The InChIKey is KGHAGEFCWZGFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-14(19)6-7-17(9-14)13(18)12-8-15-10-4-2-3-5-11(10)16-12/h2-5,8,19H,6-7,9H2,1H3.
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone has a molecular weight of 257.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-quinoxalin-2-ylmethanone is sourced from PubChem (CID 103727060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).