[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone

C15H17N3O2 — CID 115746338

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCC(CCO)C1
InChIInChI=1S/C15H17N3O2/c19-8-6-11-5-7-18(10-11)15(20)14-9-16-12-3-1-2-4-13(12)17-14/h1-4,9,11,19H,5-8,10H2
InChIKeyVZKNWDTVDKFZIQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.47
Rot. Bonds3

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 115746338) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID115746338
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone
SMILESO=C(c1cnc2ccccc2n1)N1CCC(CCO)C1
InChIInChI=1S/C15H17N3O2/c19-8-6-11-5-7-18(10-11)15(20)14-9-16-12-3-1-2-4-13(12)17-14/h1-4,9,11,19H,5-8,10H2
InChIKeyVZKNWDTVDKFZIQ-UHFFFAOYSA-N
XLogP1.47
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-aminoethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 107356517
(3-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629638
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 113268934
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
3,9-diazabicyclo[4.2.1]nonan-3-yl(quinoxalin-2-yl)methanone;dihydrochloride
CID 119635006
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 115746646
(3-methylpiperazin-1-yl)-quinoxalin-2-ylmethanone;dihydrochloride
CID 119576327
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 95758800

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone (CID 115746338) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone is O=C(c1cnc2ccccc2n1)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is VZKNWDTVDKFZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-8-6-11-5-7-18(10-11)15(20)14-9-16-12-3-1-2-4-13(12)17-14/h1-4,9,11,19H,5-8,10H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 271.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 115746338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).