[1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol

C16H20BrN3O — CID 106949677

IUPAC[1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol
SMILESNc1ccc(N2CCCCCC2CO)c2ncc(Br)cc12
InChIInChI=1S/C16H20BrN3O/c17-11-8-13-14(18)5-6-15(16(13)19-9-11)20-7-3-1-2-4-12(20)10-21/h5-6,8-9,12,21H,1-4,7,10,18H2
InChIKeyJYLLADINBGWBNA-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.32
Rot. Bonds2

About [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol

[1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol (PubChem CID 106949677) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol
PubChem CID106949677
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name[1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol
SMILESNc1ccc(N2CCCCCC2CO)c2ncc(Br)cc12
InChIInChI=1S/C16H20BrN3O/c17-11-8-13-14(18)5-6-15(16(13)19-9-11)20-7-3-1-2-4-12(20)10-21/h5-6,8-9,12,21H,1-4,7,10,18H2
InChIKeyJYLLADINBGWBNA-UHFFFAOYSA-N
XLogP3.32
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-8-(2-ethylpiperidin-1-yl)quinolin-5-amine
CID 106949013
3-bromo-8-(2-methylazepan-1-yl)quinolin-5-amine
CID 106949404
[1-(8-amino-3-methylisoquinolin-5-yl)azepan-2-yl]methanol
CID 102713697
[1-(2-amino-5-bromophenyl)piperidin-2-yl]methanol
CID 65342923
[1-(5-aminoisoquinolin-8-yl)azepan-2-yl]methanol
CID 103139323
[1-(8-aminoquinolin-5-yl)azepan-2-yl]methanol
CID 116634008
[1-(5-aminoquinolin-6-yl)piperidin-2-yl]methanol
CID 61406954
3-bromo-8-N-(2-cyclohexylethyl)quinoline-5,8-diamine
CID 106949103
3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine
CID 106949030
[1-(2-amino-5-bromo-4-fluorophenyl)piperidin-2-yl]methanol
CID 116735604
5-(2-ethylazepan-1-yl)-3-methylisoquinolin-8-amine
CID 102713614
[1-(3,5-diamino-2-pyridinyl)piperidin-2-yl]methanol
CID 23064302

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol?
The IUPAC name of [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol (CID 106949677) is [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol.
What is the SMILES notation for [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol?
The canonical SMILES for [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol is Nc1ccc(N2CCCCCC2CO)c2ncc(Br)cc12.
What is the InChIKey of [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol?
The InChIKey is JYLLADINBGWBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c17-11-8-13-14(18)5-6-15(16(13)19-9-11)20-7-3-1-2-4-12(20)10-21/h5-6,8-9,12,21H,1-4,7,10,18H2.
What are the key properties of [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol?
[1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol has a molecular weight of 350.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-3-bromoquinolin-8-yl)azepan-2-yl]methanol is sourced from PubChem (CID 106949677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).