N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine

C15H17BrN2O — CID 75517964

IUPACN-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccc(Br)c2cccnc12)C1CCOC1
InChIInChI=1S/C15H17BrN2O/c1-18(12-6-8-19-10-12)9-11-4-5-14(16)13-3-2-7-17-15(11)13/h2-5,7,12H,6,8-10H2,1H3
InChIKeyNUFZQPPXZGRJCS-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.22
Rot. Bonds3

About N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine

N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine (PubChem CID 75517964) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine
PubChem CID75517964
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine
SMILESCN(Cc1ccc(Br)c2cccnc12)C1CCOC1
InChIInChI=1S/C15H17BrN2O/c1-18(12-6-8-19-10-12)9-11-4-5-14(16)13-3-2-7-17-15(11)13/h2-5,7,12H,6,8-10H2,1H3
InChIKeyNUFZQPPXZGRJCS-UHFFFAOYSA-N
XLogP3.22
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine (CID 75517964) is N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine is CN(Cc1ccc(Br)c2cccnc12)C1CCOC1.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine?
The InChIKey is NUFZQPPXZGRJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-18(12-6-8-19-10-12)9-11-4-5-14(16)13-3-2-7-17-15(11)13/h2-5,7,12H,6,8-10H2,1H3.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine?
N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine has a molecular weight of 321.22 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromoquinolin-8-yl)methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 75517964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).