1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine

C16H14BrN3 — CID 115959018

IUPAC1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2ccccn2)c2ncccc12
InChIInChI=1S/C16H14BrN3/c17-15-7-6-12(16-14(15)5-3-9-20-16)10-18-11-13-4-1-2-8-19-13/h1-9,18H,10-11H2
InChIKeyMATLDDHKIFJTMS-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.68
Rot. Bonds4

About 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine

1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 115959018) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
PubChem CID115959018
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
SMILESBrc1ccc(CNCc2ccccn2)c2ncccc12
InChIInChI=1S/C16H14BrN3/c17-15-7-6-12(16-14(15)5-3-9-20-16)10-18-11-13-4-1-2-8-19-13/h1-9,18H,10-11H2
InChIKeyMATLDDHKIFJTMS-UHFFFAOYSA-N
XLogP3.68
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
1-(5-bromoquinolin-8-yl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]methanamine
CID 115959257
4-[[(5-bromoquinolin-8-yl)methylamino]methyl]phenol
CID 115968064
N-[(5-bromoquinolin-8-yl)methyl]butan-1-amine
CID 112617660
N-[(5-bromoquinolin-8-yl)methyl]-3-methylbutan-1-amine
CID 112617661
2-bromo-6-[(pyridin-2-ylmethylamino)methyl]phenol
CID 61389966
3-[(5-bromoquinolin-8-yl)methylamino]-2,2-difluoropropan-1-ol
CID 104857696
2-[1-[[(5-bromoquinolin-8-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114750052
4-bromo-N-[(5-bromoquinolin-8-yl)methyl]aniline
CID 115958989
1-naphthalen-1-yl-N-(pyridin-2-ylmethyl)methanamine
CID 935553
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
N-[(5-bromoquinolin-8-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 103943704

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine (CID 115959018) is 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine is Brc1ccc(CNCc2ccccn2)c2ncccc12.
What is the InChIKey of 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is MATLDDHKIFJTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-15-7-6-12(16-14(15)5-3-9-20-16)10-18-11-13-4-1-2-8-19-13/h1-9,18H,10-11H2.
What are the key properties of 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine?
1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 328.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromoquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 115959018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).