(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone

C16H17FN2O — CID 110485391

IUPAC(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C16H17FN2O/c1-11-6-8-19(9-7-11)16(20)14-5-3-12-2-4-13(17)10-15(12)18-14/h2-5,10-11H,6-9H2,1H3
InChIKeyMZOVZXLNHWAHHI-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.25
Rot. Bonds1

About (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone

(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 110485391) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID110485391
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc3ccc(F)cc3n2)CC1
InChIInChI=1S/C16H17FN2O/c1-11-6-8-19(9-7-11)16(20)14-5-3-12-2-4-13(17)10-15(12)18-14/h2-5,10-11H,6-9H2,1H3
InChIKeyMZOVZXLNHWAHHI-UHFFFAOYSA-N
XLogP3.25
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452
(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110464455
[6-(2,4-difluorophenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211385
(6-fluoro-1,3-benzothiazol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110488584
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
[4-(2,5-difluoroanilino)quinolin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53020925
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
(4-aminopiperidin-1-yl)-(7-chloroquinolin-2-yl)methanone;dihydrochloride
CID 119374355
[4-(4-fluorophenyl)sulfonylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 90589784
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
2-[5-fluoro-2-methyl-3-[1-(quinoline-2-carbonyl)piperidin-4-yl]-1H-inden-1-yl]acetic acid
CID 130440080
[6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364291

Frequently Asked Questions

What is the IUPAC name of (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 110485391) is (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc3ccc(F)cc3n2)CC1.
What is the InChIKey of (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MZOVZXLNHWAHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-6-8-19(9-7-11)16(20)14-5-3-12-2-4-13(17)10-15(12)18-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone?
(7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 272.32 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110485391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).