quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine

C16H18N4 — CID 105172503

IUPACquinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1cccc2cccnc12
InChIInChI=1S/C16H18N4/c1-10-14(11(2)20(3)19-10)15(17)13-8-4-6-12-7-5-9-18-16(12)13/h4-9,15H,17H2,1-3H3
InChIKeyXXWWVEDAWZQWBP-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.63
Rot. Bonds2

About quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine

quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine (PubChem CID 105172503) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Namequinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
PubChem CID105172503
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Namequinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
SMILESCc1nn(C)c(C)c1C(N)c1cccc2cccnc12
InChIInChI=1S/C16H18N4/c1-10-14(11(2)20(3)19-10)15(17)13-8-4-6-12-7-5-9-18-16(12)13/h4-9,15H,17H2,1-3H3
InChIKeyXXWWVEDAWZQWBP-UHFFFAOYSA-N
XLogP2.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

quinolin-8-yl-(2,4,6-trimethylphenyl)methanamine
CID 115604891
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
isoquinolin-4-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105147400
(3-chloro-2-methylphenyl)-quinolin-8-ylmethanamine
CID 107102903
[2-(2-methoxyethoxy)phenyl]-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105180506
(2,4,5-trimethylphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 105155071
(2-methylsulfanylphenyl)-quinolin-8-ylmethanamine
CID 105021362
(3-methylthiophen-2-yl)-quinolin-8-ylmethanamine
CID 113230034
1-quinolin-8-ylethane-1,2-diamine
CID 63968089
(2,3-difluorophenyl)-quinolin-8-ylmethanamine
CID 105021274
(2-ethylpyrazol-3-yl)-quinolin-8-ylmethanamine
CID 105148379
2-amino-1-quinolin-8-ylpropan-1-ol
CID 63969290

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The IUPAC name of quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine (CID 105172503) is quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine.
What is the SMILES notation for quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The canonical SMILES for quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine is Cc1nn(C)c(C)c1C(N)c1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
The InChIKey is XXWWVEDAWZQWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-10-14(11(2)20(3)19-10)15(17)13-8-4-6-12-7-5-9-18-16(12)13/h4-9,15H,17H2,1-3H3.
What are the key properties of quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine?
quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine has a molecular weight of 266.35 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl-(1,3,5-trimethylpyrazol-4-yl)methanamine is sourced from PubChem (CID 105172503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).