N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide

C21H16F3N5O — CID 11546054

IUPACN-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2cc(-n3ccc(C(F)(F)F)n3)c3ccccc3n2)cc1
InChIInChI=1S/C21H16F3N5O/c1-25-20(30)13-6-8-14(9-7-13)26-19-12-17(15-4-2-3-5-16(15)27-19)29-11-10-18(28-29)21(22,23)24/h2-12H,1H3,(H,25,30)(H,26,27)
InChIKeyBNUKECGGXNIERD-UHFFFAOYSA-N
MW411.39 g/mol
LogP4.54
Rot. Bonds4

About N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide

N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide (PubChem CID 11546054) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide
PubChem CID11546054
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC NameN-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2cc(-n3ccc(C(F)(F)F)n3)c3ccccc3n2)cc1
InChIInChI=1S/C21H16F3N5O/c1-25-20(30)13-6-8-14(9-7-13)26-19-12-17(15-4-2-3-5-16(15)27-19)29-11-10-18(28-29)21(22,23)24/h2-12H,1H3,(H,25,30)(H,26,27)
InChIKeyBNUKECGGXNIERD-UHFFFAOYSA-N
XLogP4.54
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.39
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(chloromethyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]quinoline
CID 63375402
4-[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]morpholine
CID 11660281
N-propyl-2-[4-(trifluoromethyl)anilino]quinoline-4-carboxamide
CID 117079660
[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine
CID 80902116
N-(2-methyl-1H-indol-5-yl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 51125607
4-amino-N-ethyl-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 63358810
N'-(2-naphthalen-2-yloxypropanoyl)-4-[3-(trifluoromethyl)pyrazol-1-yl]benzohydrazide
CID 60579946
4-methyl-N-phenylquinolin-2-amine
CID 616278
N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide
CID 25223765
[4-(2-methylpropyl)piperazin-1-yl]-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]phenyl]methanone
CID 21399777
N-methyl-4-[[4-[[4-phenyl-2-(trifluoromethyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]benzamide
CID 169196487
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide (CID 11546054) is N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2cc(-n3ccc(C(F)(F)F)n3)c3ccccc3n2)cc1.
What is the InChIKey of N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide?
The InChIKey is BNUKECGGXNIERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-25-20(30)13-6-8-14(9-7-13)26-19-12-17(15-4-2-3-5-16(15)27-19)29-11-10-18(28-29)21(22,23)24/h2-12H,1H3,(H,25,30)(H,26,27).
What are the key properties of N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide?
N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide has a molecular weight of 411.39 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-[3-(trifluoromethyl)pyrazol-1-yl]quinolin-2-yl]amino]benzamide is sourced from PubChem (CID 11546054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).