[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone

C15H15FN2O — CID 171530362

IUPAC[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESC[C@@H]1C[C@H](F)CN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H15FN2O/c1-10-8-12(16)9-18(10)15(19)14-7-6-11-4-2-3-5-13(11)17-14/h2-7,10,12H,8-9H2,1H3/t10-,12+/m1/s1
InChIKeyJTYBACCBBVGRTM-PWSUYJOCSA-N
MW258.30 g/mol
LogP2.81
Rot. Bonds1

About [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone

[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 171530362) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone
PubChem CID171530362
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESC[C@@H]1C[C@H](F)CN1C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C15H15FN2O/c1-10-8-12(16)9-18(10)15(19)14-7-6-11-4-2-3-5-13(11)17-14/h2-7,10,12H,8-9H2,1H3/t10-,12+/m1/s1
InChIKeyJTYBACCBBVGRTM-PWSUYJOCSA-N
XLogP2.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,6S)-6-methyl-1-(quinoline-2-carbonyl)piperidine-3-carboxamide
CID 95151470
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
(2-methyl-1,3-thiazolidin-3-yl)-quinolin-2-ylmethanone
CID 122331673
[(1R,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-quinolin-2-ylmethanone
CID 129353573
[(2S,3R)-2,3-dimethylthiomorpholin-4-yl]-quinolin-2-ylmethanone
CID 95630049
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 129427982
(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 79868417
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
[3-(3,4-dihydro-1H-isoquinolin-2-yl)azetidin-1-yl]-quinolin-2-ylmethanone
CID 119099914
(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)-quinolin-2-ylmethanone
CID 90616065
[2-(methylaminomethyl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 63249558

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone (CID 171530362) is [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone is C[C@@H]1C[C@H](F)CN1C(=O)c1ccc2ccccc2n1.
What is the InChIKey of [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is JTYBACCBBVGRTM-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-8-12(16)9-18(10)15(19)14-7-6-11-4-2-3-5-13(11)17-14/h2-7,10,12H,8-9H2,1H3/t10-,12+/m1/s1.
What are the key properties of [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone?
[(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 258.30 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-fluoro-2-methylpyrrolidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 171530362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).