1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol

C17H21BrN2O — CID 133446513

IUPAC1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol
SMILESCc1nc2ccc(Br)cc2c(N2CCC(C)C(O)C2)c1C
InChIInChI=1S/C17H21BrN2O/c1-10-6-7-20(9-16(10)21)17-11(2)12(3)19-15-5-4-13(18)8-14(15)17/h4-5,8,10,16,21H,6-7,9H2,1-3H3
InChIKeyAPQRHVBKNWJZJV-UHFFFAOYSA-N
MW349.27 g/mol
LogP3.82
Rot. Bonds1

About 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol

1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol (PubChem CID 133446513) has the molecular formula C17H21BrN2O and a molecular weight of 349.27 g/mol. Its IUPAC name is 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol
PubChem CID133446513
Molecular FormulaC17H21BrN2O
Molecular Weight349.27 g/mol
Exact Mass348.08
IUPAC Name1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol
SMILESCc1nc2ccc(Br)cc2c(N2CCC(C)C(O)C2)c1C
InChIInChI=1S/C17H21BrN2O/c1-10-6-7-20(9-16(10)21)17-11(2)12(3)19-15-5-4-13(18)8-14(15)17/h4-5,8,10,16,21H,6-7,9H2,1-3H3
InChIKeyAPQRHVBKNWJZJV-UHFFFAOYSA-N
XLogP3.82
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol (CID 133446513) is 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol is Cc1nc2ccc(Br)cc2c(N2CCC(C)C(O)C2)c1C.
What is the InChIKey of 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol?
The InChIKey is APQRHVBKNWJZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O/c1-10-6-7-20(9-16(10)21)17-11(2)12(3)19-15-5-4-13(18)8-14(15)17/h4-5,8,10,16,21H,6-7,9H2,1-3H3.
What are the key properties of 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol?
1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol has a molecular weight of 349.27 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,3-dimethylquinolin-4-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 133446513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).