[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

C14H14FN3O — CID 163348189

IUPAC[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC(CF)C1
InChIInChI=1S/C14H14FN3O/c15-8-10-3-6-18(9-10)14(19)11-1-2-12-13(7-11)17-5-4-16-12/h1-2,4-5,7,10H,3,6,8-9H2
InChIKeySZTOLLMMKFLZHV-UHFFFAOYSA-N
MW259.28 g/mol
LogP2.06
Rot. Bonds2

About [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone

[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (PubChem CID 163348189) has the molecular formula C14H14FN3O and a molecular weight of 259.28 g/mol. Its IUPAC name is [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.

Molecular Properties

Compound Name[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
PubChem CID163348189
Molecular FormulaC14H14FN3O
Molecular Weight259.28 g/mol
Exact Mass259.11
IUPAC Name[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
SMILESO=C(c1ccc2nccnc2c1)N1CCC(CF)C1
InChIInChI=1S/C14H14FN3O/c15-8-10-3-6-18(9-10)14(19)11-1-2-12-13(7-11)17-5-4-16-12/h1-2,4-5,7,10H,3,6,8-9H2
InChIKeySZTOLLMMKFLZHV-UHFFFAOYSA-N
XLogP2.06
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 62875893
(3-bromopyrrolidin-1-yl)-quinoxalin-6-ylmethanone
CID 80677717
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone
CID 121197527
(3-chloropiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 55185515
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl(quinoxalin-6-yl)methanone
CID 121184096
2H-benzotriazol-5-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371858
quinoxalin-6-yl-[4-(trifluoromethoxy)piperidin-1-yl]methanone
CID 157013388
[(3R)-3-methylpiperazin-1-yl]-quinoxalin-6-ylmethanone
CID 81426962
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
[4-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-quinoxalin-6-ylmethanone
CID 46997721
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655

Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The IUPAC name of [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone (CID 163348189) is [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone.
What is the SMILES notation for [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The canonical SMILES for [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is O=C(c1ccc2nccnc2c1)N1CCC(CF)C1.
What is the InChIKey of [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
The InChIKey is SZTOLLMMKFLZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O/c15-8-10-3-6-18(9-10)14(19)11-1-2-12-13(7-11)17-5-4-16-12/h1-2,4-5,7,10H,3,6,8-9H2.
What are the key properties of [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone?
[3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone has a molecular weight of 259.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)pyrrolidin-1-yl]-quinoxalin-6-ylmethanone is sourced from PubChem (CID 163348189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).