N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine

C15H12BrN3 — CID 61375482

IUPACN-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc(Br)cn2)c2ccccc2n1
InChIInChI=1S/C15H12BrN3/c1-10-8-14(12-4-2-3-5-13(12)18-10)19-15-7-6-11(16)9-17-15/h2-9H,1H3,(H,17,18,19)
InChIKeyGAHNXUDBVDNJJP-UHFFFAOYSA-N
MW314.19 g/mol
LogP4.44
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine

N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine (PubChem CID 61375482) has the molecular formula C15H12BrN3 and a molecular weight of 314.19 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine
PubChem CID61375482
Molecular FormulaC15H12BrN3
Molecular Weight314.19 g/mol
Exact Mass313.02
IUPAC NameN-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine
SMILESCc1cc(Nc2ccc(Br)cn2)c2ccccc2n1
InChIInChI=1S/C15H12BrN3/c1-10-8-14(12-4-2-3-5-13(12)18-10)19-15-7-6-11(16)9-17-15/h2-9H,1H3,(H,17,18,19)
InChIKeyGAHNXUDBVDNJJP-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine (CID 61375482) is N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine is Cc1cc(Nc2ccc(Br)cn2)c2ccccc2n1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine?
The InChIKey is GAHNXUDBVDNJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3/c1-10-8-14(12-4-2-3-5-13(12)18-10)19-15-7-6-11(16)9-17-15/h2-9H,1H3,(H,17,18,19).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine?
N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine has a molecular weight of 314.19 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2-methylquinolin-4-amine is sourced from PubChem (CID 61375482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).