1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C17H20N4 — CID 105172407

IUPAC1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CC(N)c1ccc2ncccc2c1
InChIInChI=1S/C17H20N4/c1-11-15(12(2)21(3)20-11)10-16(18)13-6-7-17-14(9-13)5-4-8-19-17/h4-9,16H,10,18H2,1-3H3
InChIKeyJFLLRWDRCNCONA-UHFFFAOYSA-N
MW280.38 g/mol
LogP2.83
Rot. Bonds3

About 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 105172407) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID105172407
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CC(N)c1ccc2ncccc2c1
InChIInChI=1S/C17H20N4/c1-11-15(12(2)21(3)20-11)10-16(18)13-6-7-17-14(9-13)5-4-8-19-17/h4-9,16H,10,18H2,1-3H3
InChIKeyJFLLRWDRCNCONA-UHFFFAOYSA-N
XLogP2.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-1-quinolin-6-ylethanamine
CID 63097383
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinolin-6-amine
CID 62636139
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
2-(2,5-dimethylphenyl)-1-quinolin-6-ylethanamine
CID 63097558
1-quinolin-6-ylbutan-1-amine
CID 63095616
1-[3-(trifluoromethyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105141485
1-(3-propylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105187974
2-(2-chloro-4-methylphenyl)-1-quinolin-6-ylethanamine
CID 106867176
5-methyl-1-quinolin-6-ylhexan-1-amine
CID 83161358
2-(2-fluorophenyl)-1-quinolin-6-ylethanamine
CID 63097555
N',N'-diethyl-1-quinolin-6-ylpropane-1,3-diamine
CID 81231421
2-(2-chlorophenyl)-1-quinolin-6-ylethanamine
CID 63095273

Frequently Asked Questions

What is the IUPAC name of 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 105172407) is 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1CC(N)c1ccc2ncccc2c1.
What is the InChIKey of 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is JFLLRWDRCNCONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-11-15(12(2)21(3)20-11)10-16(18)13-6-7-17-14(9-13)5-4-8-19-17/h4-9,16H,10,18H2,1-3H3.
What are the key properties of 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 280.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-quinolin-6-yl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105172407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).