2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide

C14H14FN3O2 — CID 154817068

IUPAC2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(N2C[C@@H](O)[C@H](F)C2)nc2ccccc12
InChIInChI=1S/C14H14FN3O2/c15-10-6-18(7-12(10)19)13-5-9(14(16)20)8-3-1-2-4-11(8)17-13/h1-5,10,12,19H,6-7H2,(H2,16,20)/t10-,12-/m1/s1
InChIKeyHYKFWMIDJOVGIJ-ZYHUDNBSSA-N
MW275.28 g/mol
LogP0.85
Rot. Bonds2

About 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide

2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide (PubChem CID 154817068) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide
PubChem CID154817068
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide
SMILESNC(=O)c1cc(N2C[C@@H](O)[C@H](F)C2)nc2ccccc12
InChIInChI=1S/C14H14FN3O2/c15-10-6-18(7-12(10)19)13-5-9(14(16)20)8-3-1-2-4-11(8)17-13/h1-5,10,12,19H,6-7H2,(H2,16,20)/t10-,12-/m1/s1
InChIKeyHYKFWMIDJOVGIJ-ZYHUDNBSSA-N
XLogP0.85
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethylpiperazin-1-yl)quinoline-4-carboxamide
CID 63884867
2-[(3S)-3-hydroxypiperidin-1-yl]quinoline-4-carboxamide
CID 94022780
2-(3,4-dihydroxypyrrolidin-1-yl)-N'-hydroxyquinoline-4-carboximidamide
CID 136766529
2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
2-(4-benzoylpiperazin-1-yl)quinoline-4-carboxamide
CID 146039796
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
2-(4-morpholin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 117094553
acetic acid;2-(4-piperidin-4-ylpiperidin-1-yl)quinoline-4-carboxamide
CID 163333548
2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]quinoline-4-carboxamide
CID 154567019
2-(3-hydroxypiperidin-1-yl)quinoline-4-carbothioamide
CID 63885913
2-[(2R)-2-thiophen-3-ylmorpholin-4-yl]quinoline-4-carboxamide
CID 97224305
2-(6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl)quinoline-4-carboxamide
CID 146041987

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide?
The IUPAC name of 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide (CID 154817068) is 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide is NC(=O)c1cc(N2C[C@@H](O)[C@H](F)C2)nc2ccccc12.
What is the InChIKey of 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide?
The InChIKey is HYKFWMIDJOVGIJ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-10-6-18(7-12(10)19)13-5-9(14(16)20)8-3-1-2-4-11(8)17-13/h1-5,10,12,19H,6-7H2,(H2,16,20)/t10-,12-/m1/s1.
What are the key properties of 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide?
2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 154817068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).