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

C15H18BrN3 — CID 67476109

IUPAC6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine
SMILESCN1CCC(Nc2cnc3ccc(Br)cc3c2)CC1
InChIInChI=1S/C15H18BrN3/c1-19-6-4-13(5-7-19)18-14-9-11-8-12(16)2-3-15(11)17-10-14/h2-3,8-10,13,18H,4-7H2,1H3
InChIKeyNCRIIFJGKSIOON-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.50
Rot. Bonds2

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

6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine (PubChem CID 67476109) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine
PubChem CID67476109
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine
SMILESCN1CCC(Nc2cnc3ccc(Br)cc3c2)CC1
InChIInChI=1S/C15H18BrN3/c1-19-6-4-13(5-7-19)18-14-9-11-8-12(16)2-3-15(11)17-10-14/h2-3,8-10,13,18H,4-7H2,1H3
InChIKeyNCRIIFJGKSIOON-UHFFFAOYSA-N
XLogP3.50
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine?
The IUPAC name of 6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine (CID 67476109) is 6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine.
What is the SMILES notation for 6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine?
The canonical SMILES for 6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine is CN1CCC(Nc2cnc3ccc(Br)cc3c2)CC1.
What is the InChIKey of 6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine?
The InChIKey is NCRIIFJGKSIOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-19-6-4-13(5-7-19)18-14-9-11-8-12(16)2-3-15(11)17-10-14/h2-3,8-10,13,18H,4-7H2,1H3.
What are the key properties of 6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine?
6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine has a molecular weight of 320.23 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(1-methylpiperidin-4-yl)quinolin-3-amine is sourced from PubChem (CID 67476109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).