(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone

C16H17FN2O — CID 110489762

IUPAC(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc3cc(F)ccc3c2)C1
InChIInChI=1S/C16H17FN2O/c1-11-3-2-6-19(10-11)16(20)13-7-12-4-5-14(17)8-15(12)18-9-13/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyMHYDEFHAHVVSIL-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.25
Rot. Bonds1

About (7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone

(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone (PubChem CID 110489762) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is (7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
PubChem CID110489762
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name(7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cnc3cc(F)ccc3c2)C1
InChIInChI=1S/C16H17FN2O/c1-11-3-2-6-19(10-11)16(20)13-7-12-4-5-14(17)8-15(12)18-9-13/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyMHYDEFHAHVVSIL-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)-(3-methylpiperidin-1-yl)methanone
CID 110464455
(7-fluoroquinolin-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 110489748
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492733
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 94492735
(2-fluoro-4-pyridinyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 143331282
[2-(3-fluoroanilino)pyrimidin-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 109264391
1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
CID 162628143
N-(2,4-difluorophenyl)-5-(3-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107554
azetidin-1-yl-(7-methylquinolin-3-yl)methanone
CID 166265226
7-fluoro-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136439
[2-[4-(4-fluorophenyl)piperazin-1-yl]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109173670

Frequently Asked Questions

What is the IUPAC name of (7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of (7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone (CID 110489762) is (7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for (7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cnc3cc(F)ccc3c2)C1.
What is the InChIKey of (7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone?
The InChIKey is MHYDEFHAHVVSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-11-3-2-6-19(10-11)16(20)13-7-12-4-5-14(17)8-15(12)18-9-13/h4-5,7-9,11H,2-3,6,10H2,1H3.
What are the key properties of (7-fluoroquinolin-3-yl)-(3-methylpiperidin-1-yl)methanone?
(7-fluoroquinolin-3-yl)-(3-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-3-yl)-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 110489762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).