3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine

C16H20BrN3 — CID 106949013

IUPAC3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine
SMILESCCC1CCCCN1c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3/c1-2-12-5-3-4-8-20(12)15-7-6-14(18)13-9-11(17)10-19-16(13)15/h6-7,9-10,12H,2-5,8,18H2,1H3
InChIKeyWWBJVVVNRDQRKU-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.35
Rot. Bonds2

About 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine

3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine (PubChem CID 106949013) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine.

Molecular Properties

Compound Name3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine
PubChem CID106949013
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC Name3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine
SMILESCCC1CCCCN1c1ccc(N)c2cc(Br)cnc12
InChIInChI=1S/C16H20BrN3/c1-2-12-5-3-4-8-20(12)15-7-6-14(18)13-9-11(17)10-19-16(13)15/h6-7,9-10,12H,2-5,8,18H2,1H3
InChIKeyWWBJVVVNRDQRKU-UHFFFAOYSA-N
XLogP4.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol
CID 106949677
3-bromo-8-(2-methylazepan-1-yl)quinolin-5-amine
CID 106949404
5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine
CID 102713614
3-bromo-8-(2-ethylmorpholin-4-yl)quinolin-5-amine
CID 106949057
3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine
CID 106949030
4-(2-ethylpiperidin-1-yl)pyridin-3-amine
CID 43266305
5-bromo-2-(2-propylpiperidin-1-yl)pyridin-3-amine
CID 83052128
4-(2-ethylazepan-1-yl)-2-methylaniline
CID 104688805
[3-bromo-4-(2-ethylazepan-1-yl)phenyl]methanamine
CID 104688915
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
[1-(8-amino-3-methylisoquinolin-5-yl)azepan-2-yl]methanol
CID 102713697
4-(5-amino-3-bromoquinolin-8-yl)-1-methyl-1,4-diazepan-2-one
CID 106949702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine?
The IUPAC name of 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine (CID 106949013) is 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine.
What is the SMILES notation for 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine?
The canonical SMILES for 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine is CCC1CCCCN1c1ccc(N)c2cc(Br)cnc12.
What is the InChIKey of 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine?
The InChIKey is WWBJVVVNRDQRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-2-12-5-3-4-8-20(12)15-7-6-14(18)13-9-11(17)10-19-16(13)15/h6-7,9-10,12H,2-5,8,18H2,1H3.
What are the key properties of 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine?
3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine has a molecular weight of 334.26 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine is sourced from PubChem (CID 106949013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).