6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one

C17H21FN2O2 — CID 97110018

IUPAC6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCCC[C@@H]2CCO)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H21FN2O2/c18-12-4-5-16-15(9-12)17(22)10-13(19-16)11-20-7-2-1-3-14(20)6-8-21/h4-5,9-10,14,21H,1-3,6-8,11H2,(H,19,22)/t14-/m1/s1
InChIKeyGVDDMEIJMJYMOT-CQSZACIVSA-N
MW304.36 g/mol
LogP2.40
Rot. Bonds4

About 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one

6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 97110018) has the molecular formula C17H21FN2O2 and a molecular weight of 304.36 g/mol. Its IUPAC name is 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID97110018
Molecular FormulaC17H21FN2O2
Molecular Weight304.36 g/mol
Exact Mass304.16
IUPAC Name6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
SMILESO=c1cc(CN2CCCC[C@@H]2CCO)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H21FN2O2/c18-12-4-5-16-15(9-12)17(22)10-13(19-16)11-20-7-2-1-3-14(20)6-8-21/h4-5,9-10,14,21H,1-3,6-8,11H2,(H,19,22)/t14-/m1/s1
InChIKeyGVDDMEIJMJYMOT-CQSZACIVSA-N
XLogP2.40
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2S)-2-(aminomethyl)piperidin-1-yl]methyl]-6-methyl-1H-quinolin-4-one
CID 97132129
6-fluoro-2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72871549
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-6-fluoro-1H-quinolin-4-one
CID 156604880
2-[(4-ethoxypiperidin-1-yl)methyl]-6-fluoro-1H-quinolin-4-one
CID 72904106
4-fluoro-2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 64764855
1-(4-fluorophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-2-one
CID 62052910
6-fluoro-2-[[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 72906962
6-fluoro-2-[[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methyl]-1H-quinolin-4-one
CID 72922187
2-[[(2S)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1H-quinolin-4-one
CID 97138643
(E)-3-(4-fluorophenyl)-1-[2-(2-hydroxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 60741700
(3aR,6aR)-5-acetyl-2-[(6-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 74239168
2-[[[(3S)-1,1-dioxothiolan-3-yl]-(2-hydroxyethyl)amino]methyl]-6-fluoro-1H-quinolin-4-one
CID 97156888

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one (CID 97110018) is 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one is O=c1cc(CN2CCCC[C@@H]2CCO)[nH]c2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is GVDDMEIJMJYMOT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21FN2O2/c18-12-4-5-16-15(9-12)17(22)10-13(19-16)11-20-7-2-1-3-14(20)6-8-21/h4-5,9-10,14,21H,1-3,6-8,11H2,(H,19,22)/t14-/m1/s1.
What are the key properties of 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one?
6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 304.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 97110018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).