N-(3-bromo-4-pyridinyl)quinolin-3-amine

C14H10BrN3 — CID 113452158

IUPACN-(3-bromo-4-pyridinyl)quinolin-3-amine
SMILESBrc1cnccc1Nc1cnc2ccccc2c1
InChIInChI=1S/C14H10BrN3/c15-12-9-16-6-5-14(12)18-11-7-10-3-1-2-4-13(10)17-8-11/h1-9H,(H,16,18)
InChIKeyOGKXYROEGUXLGS-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.14
Rot. Bonds2

About N-(3-bromo-4-pyridinyl)quinolin-3-amine

N-(3-bromo-4-pyridinyl)quinolin-3-amine (PubChem CID 113452158) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(3-bromo-4-pyridinyl)quinolin-3-amine.

Molecular Properties

Compound NameN-(3-bromo-4-pyridinyl)quinolin-3-amine
PubChem CID113452158
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC NameN-(3-bromo-4-pyridinyl)quinolin-3-amine
SMILESBrc1cnccc1Nc1cnc2ccccc2c1
InChIInChI=1S/C14H10BrN3/c15-12-9-16-6-5-14(12)18-11-7-10-3-1-2-4-13(10)17-8-11/h1-9H,(H,16,18)
InChIKeyOGKXYROEGUXLGS-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-pyridinyl)quinolin-3-amine?
The IUPAC name of N-(3-bromo-4-pyridinyl)quinolin-3-amine (CID 113452158) is N-(3-bromo-4-pyridinyl)quinolin-3-amine.
What is the SMILES notation for N-(3-bromo-4-pyridinyl)quinolin-3-amine?
The canonical SMILES for N-(3-bromo-4-pyridinyl)quinolin-3-amine is Brc1cnccc1Nc1cnc2ccccc2c1.
What is the InChIKey of N-(3-bromo-4-pyridinyl)quinolin-3-amine?
The InChIKey is OGKXYROEGUXLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-12-9-16-6-5-14(12)18-11-7-10-3-1-2-4-13(10)17-8-11/h1-9H,(H,16,18).
What are the key properties of N-(3-bromo-4-pyridinyl)quinolin-3-amine?
N-(3-bromo-4-pyridinyl)quinolin-3-amine has a molecular weight of 300.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-pyridinyl)quinolin-3-amine is sourced from PubChem (CID 113452158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).