1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine

C16H17BrN4 — CID 62128738

IUPAC1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2nc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C16H17BrN4/c1-10-15(17)11(2)21(20-10)16-13(9-18-3)8-12-6-4-5-7-14(12)19-16/h4-8,18H,9H2,1-3H3
InChIKeyUHKFGYJXRSMAFY-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.52
Rot. Bonds3

About 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine

1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine (PubChem CID 62128738) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
PubChem CID62128738
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
SMILESCNCc1cc2ccccc2nc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C16H17BrN4/c1-10-15(17)11(2)21(20-10)16-13(9-18-3)8-12-6-4-5-7-14(12)19-16/h4-8,18H,9H2,1-3H3
InChIKeyUHKFGYJXRSMAFY-UHFFFAOYSA-N
XLogP3.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine (CID 62128738) is 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine is CNCc1cc2ccccc2nc1-n1nc(C)c(Br)c1C.
What is the InChIKey of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine?
The InChIKey is UHKFGYJXRSMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-10-15(17)11(2)21(20-10)16-13(9-18-3)8-12-6-4-5-7-14(12)19-16/h4-8,18H,9H2,1-3H3.
What are the key properties of 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine?
1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine has a molecular weight of 345.24 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62128738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).