6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine

C16H20BrN3O — CID 63971710

IUPAC6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
SMILESCOCC1CCN(c2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H20BrN3O/c1-21-10-11-4-6-20(7-5-11)16-13-8-12(17)2-3-15(13)19-9-14(16)18/h2-3,8-9,11H,4-7,10,18H2,1H3
InChIKeyPVRCZYHCIIODJO-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.44
Rot. Bonds3

About 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine

6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine (PubChem CID 63971710) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
PubChem CID63971710
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
SMILESCOCC1CCN(c2c(N)cnc3ccc(Br)cc23)CC1
InChIInChI=1S/C16H20BrN3O/c1-21-10-11-4-6-20(7-5-11)16-13-8-12(17)2-3-15(13)19-9-14(16)18/h2-3,8-9,11H,4-7,10,18H2,1H3
InChIKeyPVRCZYHCIIODJO-UHFFFAOYSA-N
XLogP3.44
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine?
The IUPAC name of 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine (CID 63971710) is 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine?
The canonical SMILES for 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine is COCC1CCN(c2c(N)cnc3ccc(Br)cc23)CC1.
What is the InChIKey of 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine?
The InChIKey is PVRCZYHCIIODJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-21-10-11-4-6-20(7-5-11)16-13-8-12(17)2-3-15(13)19-9-14(16)18/h2-3,8-9,11H,4-7,10,18H2,1H3.
What are the key properties of 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine?
6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine has a molecular weight of 350.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine is sourced from PubChem (CID 63971710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).