2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine

C16H15F3N4 — CID 134698161

IUPAC2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(NCCn2cccn2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H15F3N4/c1-11-9-14(20-6-8-23-7-2-5-21-23)13-4-3-12(16(17,18)19)10-15(13)22-11/h2-5,7,9-10H,6,8H2,1H3,(H,20,22)
InChIKeyOGBQNYBTTFVAJB-UHFFFAOYSA-N
MW320.32 g/mol
LogP3.87
Rot. Bonds4

About 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine

2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine (PubChem CID 134698161) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine
PubChem CID134698161
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine
SMILESCc1cc(NCCn2cccn2)c2ccc(C(F)(F)F)cc2n1
InChIInChI=1S/C16H15F3N4/c1-11-9-14(20-6-8-23-7-2-5-21-23)13-4-3-12(16(17,18)19)10-15(13)22-11/h2-5,7,9-10H,6,8H2,1H3,(H,20,22)
InChIKeyOGBQNYBTTFVAJB-UHFFFAOYSA-N
XLogP3.87
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(2-pyrazol-1-ylethyl)quinolin-4-amine
CID 61463009
2-fluoro-N-(2-pyrazol-1-ylethyl)-5-(trifluoromethyl)aniline
CID 63036481
N-(3,5-dimethylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477036
N-(4-bromophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477012
2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491576
N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23476982
N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide
CID 135095592
6-methyl-4-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 112732592
2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 171359188
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]-4-pyrazol-1-ylbutanamide
CID 118775554
3-chloro-4-methyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491572
4-fluoro-2-methoxy-N-(2-pyrazol-1-ylethyl)aniline
CID 54968374

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine (CID 134698161) is 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine is Cc1cc(NCCn2cccn2)c2ccc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine?
The InChIKey is OGBQNYBTTFVAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c1-11-9-14(20-6-8-23-7-2-5-21-23)13-4-3-12(16(17,18)19)10-15(13)22-11/h2-5,7,9-10H,6,8H2,1H3,(H,20,22).
What are the key properties of 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine?
2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine has a molecular weight of 320.32 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 134698161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).