(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone

C16H17FN2O2 — CID 78838342

IUPAC(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C16H17FN2O2/c1-10-14(16(21)19-6-4-13(20)5-7-19)8-11-2-3-12(17)9-15(11)18-10/h2-3,8-9,13,20H,4-7H2,1H3
InChIKeyKTPIDJCJIVNTGM-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.28
Rot. Bonds1

About (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone

(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 78838342) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID78838342
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCC(O)CC1
InChIInChI=1S/C16H17FN2O2/c1-10-14(16(21)19-6-4-13(20)5-7-19)8-11-2-3-12(17)9-15(11)18-10/h2-3,8-9,13,20H,4-7H2,1H3
InChIKeyKTPIDJCJIVNTGM-UHFFFAOYSA-N
XLogP2.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 78838342) is (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone is Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(O)CC1.
What is the InChIKey of (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is KTPIDJCJIVNTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-10-14(16(21)19-6-4-13(20)5-7-19)8-11-2-3-12(17)9-15(11)18-10/h2-3,8-9,13,20H,4-7H2,1H3.
What are the key properties of (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone?
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 288.32 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 78838342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).