3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine

C15H12BrN3 — CID 104777182

IUPAC3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
SMILESBrc1cnccc1NCc1cccc2cccnc12
InChIInChI=1S/C15H12BrN3/c16-13-10-17-8-6-14(13)19-9-12-4-1-3-11-5-2-7-18-15(11)12/h1-8,10H,9H2,(H,17,19)
InChIKeyPLLVGQRKJUDVRD-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.00
Rot. Bonds3

About 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine

3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine (PubChem CID 104777182) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
PubChem CID104777182
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC Name3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine
SMILESBrc1cnccc1NCc1cccc2cccnc12
InChIInChI=1S/C15H12BrN3/c16-13-10-17-8-6-14(13)19-9-12-4-1-3-11-5-2-7-18-15(11)12/h1-8,10H,9H2,(H,17,19)
InChIKeyPLLVGQRKJUDVRD-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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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine (CID 104777182) is 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine is Brc1cnccc1NCc1cccc2cccnc12.
What is the InChIKey of 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine?
The InChIKey is PLLVGQRKJUDVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c16-13-10-17-8-6-14(13)19-9-12-4-1-3-11-5-2-7-18-15(11)12/h1-8,10H,9H2,(H,17,19).
What are the key properties of 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine?
3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-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 3-bromo-N-(quinolin-8-ylmethyl)pyridin-4-amine is sourced from PubChem (CID 104777182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).