6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine

C16H20BrN3O — CID 107390554

IUPAC6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine
SMILESCOC1(C)CCCN(c2c(N)cnc3ccc(Br)cc23)C1
InChIInChI=1S/C16H20BrN3O/c1-16(21-2)6-3-7-20(10-16)15-12-8-11(17)4-5-14(12)19-9-13(15)18/h4-5,8-9H,3,6-7,10,18H2,1-2H3
InChIKeyGFLXFIVEEIKLKR-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.58
Rot. Bonds2

About 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine

6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine (PubChem CID 107390554) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine
PubChem CID107390554
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine
SMILESCOC1(C)CCCN(c2c(N)cnc3ccc(Br)cc23)C1
InChIInChI=1S/C16H20BrN3O/c1-16(21-2)6-3-7-20(10-16)15-12-8-11(17)4-5-14(12)19-9-13(15)18/h4-5,8-9H,3,6-7,10,18H2,1-2H3
InChIKeyGFLXFIVEEIKLKR-UHFFFAOYSA-N
XLogP3.58
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
CID 43621123
6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
CID 63624085
6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine
CID 103530492
6-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 107390510
3,5-dibromo-2-(3-methoxy-3-methylpiperidin-1-yl)pyridine
CID 107394464
6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
CID 63971710
4-(3-methoxy-3-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 107392588
1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
CID 106835353
[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]methanol
CID 43621280
5-chloro-2-(3-methoxy-3-methylpiperidin-1-yl)pyridin-3-amine
CID 107390515
4-bromo-2-(3-methoxy-3-methylpiperidin-1-yl)benzenecarbothioamide
CID 107392722
6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
CID 81450399

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine?
The IUPAC name of 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine (CID 107390554) is 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine?
The canonical SMILES for 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine is COC1(C)CCCN(c2c(N)cnc3ccc(Br)cc23)C1.
What is the InChIKey of 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine?
The InChIKey is GFLXFIVEEIKLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-16(21-2)6-3-7-20(10-16)15-12-8-11(17)4-5-14(12)19-9-13(15)18/h4-5,8-9H,3,6-7,10,18H2,1-2H3.
What are the key properties of 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine?
6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine has a molecular weight of 350.26 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine is sourced from PubChem (CID 107390554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).