[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone

C16H18BrN3O — CID 124593306

IUPAC[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](N)C2)c2cc(Br)ccc2n1
InChIInChI=1S/C16H18BrN3O/c1-10-7-14(13-8-11(17)4-5-15(13)19-10)16(21)20-6-2-3-12(18)9-20/h4-5,7-8,12H,2-3,6,9,18H2,1H3/t12-/m1/s1
InChIKeyLIGHPAFWQJGQIB-GFCCVEGCSA-N
MW348.24 g/mol
LogP2.87
Rot. Bonds1

About [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone

[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone (PubChem CID 124593306) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
PubChem CID124593306
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](N)C2)c2cc(Br)ccc2n1
InChIInChI=1S/C16H18BrN3O/c1-10-7-14(13-8-11(17)4-5-15(13)19-10)16(21)20-6-2-3-12(18)9-20/h4-5,7-8,12H,2-3,6,9,18H2,1H3/t12-/m1/s1
InChIKeyLIGHPAFWQJGQIB-GFCCVEGCSA-N
XLogP2.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone with MolForge

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Related Compounds

(6-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684515
(6-bromo-2-methylquinolin-4-yl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 119635649
(6-bromo-2-methylquinolin-4-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560432
(7-bromo-2-methylquinolin-4-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575462
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
[3-(2-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 120727676
(6-bromo-2-phenylquinolin-4-yl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 997940
1-(6-bromo-2-methylquinoline-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528094
(3-aminopiperidin-1-yl)-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 119380739
(3-aminopiperidin-1-yl)-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119378902
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone (CID 124593306) is [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CCC[C@@H](N)C2)c2cc(Br)ccc2n1.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone?
The InChIKey is LIGHPAFWQJGQIB-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-10-7-14(13-8-11(17)4-5-15(13)19-10)16(21)20-6-2-3-12(18)9-20/h4-5,7-8,12H,2-3,6,9,18H2,1H3/t12-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone?
[(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone has a molecular weight of 348.24 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-(6-bromo-2-methylquinolin-4-yl)methanone is sourced from PubChem (CID 124593306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).