N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine

C15H17BrN2O — CID 112617700

IUPACN-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine
SMILESBrc1ccc(CNC2CCOCC2)c2ncccc12
InChIInChI=1S/C15H17BrN2O/c16-14-4-3-11(15-13(14)2-1-7-17-15)10-18-12-5-8-19-9-6-12/h1-4,7,12,18H,5-6,8-10H2
InChIKeyCQFZIQXNUGSGJU-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.27
Rot. Bonds3

About N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine

N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine (PubChem CID 112617700) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine
PubChem CID112617700
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine
SMILESBrc1ccc(CNC2CCOCC2)c2ncccc12
InChIInChI=1S/C15H17BrN2O/c16-14-4-3-11(15-13(14)2-1-7-17-15)10-18-12-5-8-19-9-6-12/h1-4,7,12,18H,5-6,8-10H2
InChIKeyCQFZIQXNUGSGJU-UHFFFAOYSA-N
XLogP3.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromoquinolin-8-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 115959416
N-[(5-bromoquinolin-8-yl)methyl]-1-(1,4-dioxan-2-yl)methanamine
CID 115959206
N-[(5-bromoquinolin-8-yl)methyl]-1-cyclopropylethanamine
CID 112617689
N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine
CID 75517964
N-[(5-bromoquinolin-8-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115959209
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
N-[(5-bromoquinolin-8-yl)methyl]-1-methylcyclopropan-1-amine
CID 115968174
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
N,N-dimethyl-3-[(oxan-4-ylamino)methyl]pyridin-2-amine
CID 29153314
N-[(5-chloroquinolin-8-yl)methyl]-2,2-dimethyloxan-4-amine
CID 115764370
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
CID 112617652

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine (CID 112617700) is N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine is Brc1ccc(CNC2CCOCC2)c2ncccc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine?
The InChIKey is CQFZIQXNUGSGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c16-14-4-3-11(15-13(14)2-1-7-17-15)10-18-12-5-8-19-9-6-12/h1-4,7,12,18H,5-6,8-10H2.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine?
N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine has a molecular weight of 321.22 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]oxan-4-amine is sourced from PubChem (CID 112617700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).