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

C15H12BrN3 — CID 112617652

IUPACN-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
SMILESBrc1ccc(CNc2cccnc2)c2ncccc12
InChIInChI=1S/C15H12BrN3/c16-14-6-5-11(15-13(14)4-2-8-18-15)9-19-12-3-1-7-17-10-12/h1-8,10,19H,9H2
InChIKeyOGKOPZLTNZNEQF-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.00
Rot. Bonds3

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

N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine (PubChem CID 112617652) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
PubChem CID112617652
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC NameN-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine
SMILESBrc1ccc(CNc2cccnc2)c2ncccc12
InChIInChI=1S/C15H12BrN3/c16-14-6-5-11(15-13(14)4-2-8-18-15)9-19-12-3-1-7-17-10-12/h1-8,10,19H,9H2
InChIKeyOGKOPZLTNZNEQF-UHFFFAOYSA-N
XLogP4.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115958992
4-[(5-bromoquinolin-8-yl)methylamino]phenol
CID 115959175
N-[(5-bromoquinolin-8-yl)methyl]-3-chloroaniline
CID 115958979
(1R)-N-[(5-bromoquinolin-8-yl)methyl]-1-pyridin-3-ylethanamine
CID 103940764
N-[(5-bromoquinolin-8-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 113355941
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-6-fluoroaniline
CID 107598155
1-(5-bromoquinolin-8-yl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 112617826
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-chloroaniline
CID 115959445
2-bromo-N-[(5-bromoquinolin-8-yl)methyl]-4-fluoroaniline
CID 115959082
N-[(5-bromoquinolin-8-yl)methyl]-2,5-dichloroaniline
CID 115958945
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115959018

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine?
The IUPAC name of N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine (CID 112617652) is N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine.
What is the SMILES notation for N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine?
The canonical SMILES for N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine is Brc1ccc(CNc2cccnc2)c2ncccc12.
What is the InChIKey of N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine?
The InChIKey is OGKOPZLTNZNEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-14-6-5-11(15-13(14)4-2-8-18-15)9-19-12-3-1-7-17-10-12/h1-8,10,19H,9H2.
What are the key properties of N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine?
N-[(5-bromoquinolin-8-yl)methyl]pyridin-3-amine has a molecular weight of 314.19 g/mol, XLogP of 4.00, 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]pyridin-3-amine is sourced from PubChem (CID 112617652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).