3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine

C16H17BrN4 — CID 116783312

IUPAC3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
SMILESCCc1nn(C)cc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H17BrN4/c1-3-14-12(10-21(2)20-14)8-18-15-6-4-5-11-7-13(17)9-19-16(11)15/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyILXZPWYIGSJQJL-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.91
Rot. Bonds4

About 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine

3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine (PubChem CID 116783312) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
PubChem CID116783312
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine
SMILESCCc1nn(C)cc1CNc1cccc2cc(Br)cnc12
InChIInChI=1S/C16H17BrN4/c1-3-14-12(10-21(2)20-14)8-18-15-6-4-5-11-7-13(17)9-19-16(11)15/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyILXZPWYIGSJQJL-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

3-bromo-N-[(2,3-difluorophenyl)methyl]quinolin-8-amine
CID 116783545
3-bromo-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]quinolin-8-amine
CID 116784094
2,5-dibromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668885
3-bromo-N-[(3-ethylimidazol-4-yl)methyl]quinolin-8-amine
CID 116783174
3-bromo-N-[(3-methyltriazol-4-yl)methyl]quinolin-8-amine
CID 116783474
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,3-difluoroaniline
CID 112668970
3-bromo-N-[(3-methyl-2-pyridinyl)methyl]quinolin-8-amine
CID 116784241
3-bromo-N-[(4-fluoro-2-methylphenyl)methyl]quinolin-8-amine
CID 116783232
3-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 112668224
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599955
2,4,6-tribromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]aniline
CID 112668796
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-2-amine
CID 133444784

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine?
The IUPAC name of 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine (CID 116783312) is 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine.
What is the SMILES notation for 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine?
The canonical SMILES for 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine is CCc1nn(C)cc1CNc1cccc2cc(Br)cnc12.
What is the InChIKey of 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine?
The InChIKey is ILXZPWYIGSJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-3-14-12(10-21(2)20-14)8-18-15-6-4-5-11-7-13(17)9-19-16(11)15/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine?
3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-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 3-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]quinolin-8-amine is sourced from PubChem (CID 116783312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).