(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone

C17H20BrN3O — CID 119560432

IUPAC(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(C)nc3ccc(Br)cc23)CC1
InChIInChI=1S/C17H20BrN3O/c1-11-9-15(14-10-12(18)3-4-16(14)20-11)17(22)21-7-5-13(19-2)6-8-21/h3-4,9-10,13,19H,5-8H2,1-2H3
InChIKeyMNAGBVLJCOMEBI-UHFFFAOYSA-N
MW362.27 g/mol
LogP3.13
Rot. Bonds2

About (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone

(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119560432) has the molecular formula C17H20BrN3O and a molecular weight of 362.27 g/mol. Its IUPAC name is (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119560432
Molecular FormulaC17H20BrN3O
Molecular Weight362.27 g/mol
Exact Mass361.08
IUPAC Name(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(C)nc3ccc(Br)cc23)CC1
InChIInChI=1S/C17H20BrN3O/c1-11-9-15(14-10-12(18)3-4-16(14)20-11)17(22)21-7-5-13(19-2)6-8-21/h3-4,9-10,13,19H,5-8H2,1-2H3
InChIKeyMNAGBVLJCOMEBI-UHFFFAOYSA-N
XLogP3.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone with MolForge

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Related Compounds

(6-bromo-2-methylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635649
1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528094
(6-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684515
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
CID 124593306
(7-bromo-2-methylquinolin-4-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 110897019
(7-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575462
(5-bromo-2-fluorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561523
[4-(1-aminoethyl)piperidin-1-yl]-(7-bromo-2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119519468
(4-hydroxypiperidin-1-yl)-(6-methoxy-2-methylquinolin-4-yl)methanone
CID 111459532
(2-cyclopropyl-6-fluoroquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119561347
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2,6-dimethylquinolin-4-yl)methanone
CID 133124655

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119560432) is (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(C)nc3ccc(Br)cc23)CC1.
What is the InChIKey of (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is MNAGBVLJCOMEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O/c1-11-9-15(14-10-12(18)3-4-16(14)20-11)17(22)21-7-5-13(19-2)6-8-21/h3-4,9-10,13,19H,5-8H2,1-2H3.
What are the key properties of (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone?
(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 362.27 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119560432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).