6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine

C16H17BrN4 — CID 133444784

IUPAC6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine
SMILESCCc1nn(C)cc1CNc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C16H17BrN4/c1-3-14-12(10-21(2)20-14)9-18-16-7-4-11-8-13(17)5-6-15(11)19-16/h4-8,10H,3,9H2,1-2H3,(H,18,19)
InChIKeyLWMLNCGINWRPGB-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.91
Rot. Bonds4

About 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine

6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine (PubChem CID 133444784) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine
PubChem CID133444784
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine
SMILESCCc1nn(C)cc1CNc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C16H17BrN4/c1-3-14-12(10-21(2)20-14)9-18-16-7-4-11-8-13(17)5-6-15(11)19-16/h4-8,10H,3,9H2,1-2H3,(H,18,19)
InChIKeyLWMLNCGINWRPGB-UHFFFAOYSA-N
XLogP3.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]quinoline-6-carbonitrile
CID 133444982
2,5-dibromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668885
2,4,6-tribromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668796
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
CID 116783312
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112549981
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
2-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-propoxypyridine-2,5-diamine
CID 115989138
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599955
2-amino-4-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115989913

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine?
The IUPAC name of 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine (CID 133444784) is 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine?
The canonical SMILES for 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine is CCc1nn(C)cc1CNc1ccc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine?
The InChIKey is LWMLNCGINWRPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-3-14-12(10-21(2)20-14)9-18-16-7-4-11-8-13(17)5-6-15(11)19-16/h4-8,10H,3,9H2,1-2H3,(H,18,19).
What are the key properties of 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine?
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine has a molecular weight of 345.24 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 133444784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).