2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one

C15H18FN3O2 — CID 70748349

IUPAC2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one
SMILESN[C@@H]1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C[C@H]1O
InChIInChI=1S/C15H18FN3O2/c16-9-1-2-13-11(5-9)14(20)6-10(18-13)7-19-4-3-12(17)15(21)8-19/h1-2,5-6,12,15,21H,3-4,7-8,17H2,(H,18,20)/t12-,15-/m1/s1
InChIKeyMPCFABUTRZRHBT-IUODEOHRSA-N
MW291.33 g/mol
LogP0.56
Rot. Bonds2

About 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one

2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one (PubChem CID 70748349) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one
PubChem CID70748349
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one
SMILESN[C@@H]1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C[C@H]1O
InChIInChI=1S/C15H18FN3O2/c16-9-1-2-13-11(5-9)14(20)6-10(18-13)7-19-4-3-12(17)15(21)8-19/h1-2,5-6,12,15,21H,3-4,7-8,17H2,(H,18,20)/t12-,15-/m1/s1
InChIKeyMPCFABUTRZRHBT-IUODEOHRSA-N
XLogP0.56
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 24824960
5,7-difluoro-2-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-3-methyl-1H-quinolin-4-one
CID 137640744
1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxo-quinoline-3-carboxamide
CID 44590250
5,7-difluoro-2-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-3-methyl-1H-quinolin-4-one
CID 129246953
4-Fluoro-N-[2-(2-morpholin-4-yl-ethylcarbamoyl)-phenyl]-benzamide
CID 1272684
2-{[4-(4-Fluorobenzyl)-3-(2-hydroxyethyl)piperazin-1-yl]methyl}quinolin-4-ol
CID 23723340
2-{[3-(2-Hydroxyethyl)-4-(2-methylbenzyl)piperazin-1-yl]methyl}quinolin-4-ol
CID 23723998
2-(3-hydroxypropyl)-1H-quinolin-4-one
CID 70695494
5,7-difluoro-2-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]phenyl]-3-methyl-1H-quinolin-4-one
CID 137646918
Benzamide, 2-((2-hydroxypropyl)amino)-
CID 58897
1-(2-Aminobenzoyl)piperidin-3-ol
CID 16770198
3-[2-[(2R,3S)-3-hydroxypiperidin-2-yl]ethyl]quinazolin-4-one
CID 11846158

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one?
The IUPAC name of 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one (CID 70748349) is 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one.
What is the SMILES notation for 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one?
The canonical SMILES for 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one is N[C@@H]1CCN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C[C@H]1O.
What is the InChIKey of 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one?
The InChIKey is MPCFABUTRZRHBT-IUODEOHRSA-N. The full InChI is InChI=1S/C15H18FN3O2/c16-9-1-2-13-11(5-9)14(20)6-10(18-13)7-19-4-3-12(17)15(21)8-19/h1-2,5-6,12,15,21H,3-4,7-8,17H2,(H,18,20)/t12-,15-/m1/s1.
What are the key properties of 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one?
2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one has a molecular weight of 291.33 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R,4R)-4-amino-3-hydroxypiperidin-1-yl]methyl]-6-fluoro-1H-quinolin-4-one is sourced from PubChem (CID 70748349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).