(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone

C16H17BrN2O2 — CID 110897019

IUPAC(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)CC2)c2ccc(Br)cc2n1
InChIInChI=1S/C16H17BrN2O2/c1-10-8-14(13-3-2-11(17)9-15(13)18-10)16(21)19-6-4-12(20)5-7-19/h2-3,8-9,12,20H,4-7H2,1H3
InChIKeyYLNFBWASGTWDKL-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.90
Rot. Bonds1

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

(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 110897019) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is (7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
PubChem CID110897019
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(O)CC2)c2ccc(Br)cc2n1
InChIInChI=1S/C16H17BrN2O2/c1-10-8-14(13-3-2-11(17)9-15(13)18-10)16(21)19-6-4-12(20)5-7-19/h2-3,8-9,12,20H,4-7H2,1H3
InChIKeyYLNFBWASGTWDKL-UHFFFAOYSA-N
XLogP2.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-bromo-2-methylquinolin-4-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

Related Compounds

[4-(1-aminoethyl)piperidin-1-yl]-(7-bromo-2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119519468
(7-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575462
(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560432
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
(4-bromo-2-methylphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 43630038
(7-bromo-2-methylquinolin-4-yl)-(4-hydroxy-5,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 112838781
(6-bromo-2-methylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635649
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528094
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone (CID 110897019) is (7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(O)CC2)c2ccc(Br)cc2n1.
What is the InChIKey of (7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is YLNFBWASGTWDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-10-8-14(13-3-2-11(17)9-15(13)18-10)16(21)19-6-4-12(20)5-7-19/h2-3,8-9,12,20H,4-7H2,1H3.
What are the key properties of (7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone?
(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 349.23 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 110897019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).