8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride

C16H24Cl2FN3O3 — CID 118903860

IUPAC8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
SMILESCN[C@@H]1CNCC[C@]1(O)COc1ccc(F)c2c1CCC(=O)N2.Cl.Cl
InChIInChI=1S/C16H22FN3O3.2ClH/c1-18-13-8-19-7-6-16(13,22)9-23-12-4-3-11(17)15-10(12)2-5-14(21)20-15;;/h3-4,13,18-19,22H,2,5-9H2,1H3,(H,20,21);2*1H/t13-,16+;;/m1../s1
InChIKeyRQINSQVBGDMLNC-QUHUPCLFSA-N
MW396.29 g/mol
LogP1.25
Rot. Bonds4

About 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride

8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride (PubChem CID 118903860) has the molecular formula C16H24Cl2FN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride.

Molecular Properties

Compound Name8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
PubChem CID118903860
Molecular FormulaC16H24Cl2FN3O3
Molecular Weight396.29 g/mol
Exact Mass395.12
IUPAC Name8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride
SMILESCN[C@@H]1CNCC[C@]1(O)COc1ccc(F)c2c1CCC(=O)N2.Cl.Cl
InChIInChI=1S/C16H22FN3O3.2ClH/c1-18-13-8-19-7-6-16(13,22)9-23-12-4-3-11(17)15-10(12)2-5-14(21)20-15;;/h3-4,13,18-19,22H,2,5-9H2,1H3,(H,20,21);2*1H/t13-,16+;;/m1../s1
InChIKeyRQINSQVBGDMLNC-QUHUPCLFSA-N
XLogP1.25
TPSA82.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 51.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (3S,4S)-4-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-3,4-dihydroxypiperidine-1-carboxylate
CID 138677562
8-fluoro-5-[[(3R,4S)-3-fluoro-4-hydroxypiperidin-4-yl]methoxy]-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 118905067
5-[[(1R,2R)-4-(4-chloro-2-fluorophenyl)-1,2,4-trihydroxycyclohexyl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 130385518
8-fluoro-5-[(4-hydroxy-1-phenylpiperidin-4-yl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 118905031
5-[[(3R,4R)-1-(2-cyclopropylacetyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 175894702
5-[[(3R,4R)-1-(2-cyclopentylethyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 175894878
5-[[(3R,4S)-1-(4-chloro-2-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904965
8-fluoro-5-[[(3S,4S)-4-hydroxy-3-methoxypiperidin-4-yl]methoxy]-1-[(4-methoxyphenyl)methyl]-3,4-dihydroquinolin-2-one
CID 118905128
5-[[(3R,4R)-1-(2,4-dichloro-6-fluorophenyl)-3,4-dihydroxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904605
(1S,6S)-6-[(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl)oxymethyl]-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid
CID 118904728
5-[[(3S,4S)-1-(3,5-dichloro-2-pyridinyl)-4-hydroxy-3-methoxypiperidin-4-yl]methoxy]-8-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 118904862
(8-fluoro-2-oxo-3,4-dihydro-1H-quinolin-5-yl) acetate
CID 151634733

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride?
The IUPAC name of 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride (CID 118903860) is 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride.
What is the SMILES notation for 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride?
The canonical SMILES for 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride is CN[C@@H]1CNCC[C@]1(O)COc1ccc(F)c2c1CCC(=O)N2.Cl.Cl.
What is the InChIKey of 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride?
The InChIKey is RQINSQVBGDMLNC-QUHUPCLFSA-N. The full InChI is InChI=1S/C16H22FN3O3.2ClH/c1-18-13-8-19-7-6-16(13,22)9-23-12-4-3-11(17)15-10(12)2-5-14(21)20-15;;/h3-4,13,18-19,22H,2,5-9H2,1H3,(H,20,21);2*1H/t13-,16+;;/m1../s1.
What are the key properties of 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride?
8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride has a molecular weight of 396.29 g/mol, XLogP of 1.25, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-5-[[(3R,4R)-4-hydroxy-3-(methylamino)piperidin-4-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one;dihydrochloride is sourced from PubChem (CID 118903860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).