2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide

C21H20F3N3O — CID 175308750

IUPAC2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESCCc1ccc(C(N)=O)c(CC)c1Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C21H20F3N3O/c1-3-12-5-7-15(20(25)28)14(4-2)19(12)27-17-9-10-26-18-11-13(21(22,23)24)6-8-16(17)18/h5-11H,3-4H2,1-2H3,(H2,25,28)(H,26,27)
InChIKeyNXKKXYAKDXMEIR-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.22
Rot. Bonds5

About 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide

2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide (PubChem CID 175308750) has the molecular formula C21H20F3N3O and a molecular weight of 387.41 g/mol. Its IUPAC name is 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide.

Molecular Properties

Compound Name2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
PubChem CID175308750
Molecular FormulaC21H20F3N3O
Molecular Weight387.41 g/mol
Exact Mass387.16
IUPAC Name2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
SMILESCCc1ccc(C(N)=O)c(CC)c1Nc1ccnc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C21H20F3N3O/c1-3-12-5-7-15(20(25)28)14(4-2)19(12)27-17-9-10-26-18-11-13(21(22,23)24)6-8-16(17)18/h5-11H,3-4H2,1-2H3,(H2,25,28)(H,26,27)
InChIKeyNXKKXYAKDXMEIR-UHFFFAOYSA-N
XLogP5.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethanone;hydrochloride
CID 90485767
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
CID 21433856
methyl 2-[2-[(7-chloroquinolin-4-yl)amino]-4-(trifluoromethyl)phenyl]acetate
CID 157172040
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
2,6-bis(diethylaminomethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 10096462
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
[1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethylideneamino]thiourea
CID 91382598
2-N-[7-(trifluoromethyl)quinolin-4-yl]propane-1,2-diamine
CID 10825833
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine
CID 133444826
N-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 164852738
N-(2-ethyl-2-methylsulfonylbutyl)-7-(trifluoromethyl)quinolin-4-amine
CID 133402646

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The IUPAC name of 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide (CID 175308750) is 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide.
What is the SMILES notation for 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The canonical SMILES for 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide is CCc1ccc(C(N)=O)c(CC)c1Nc1ccnc2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
The InChIKey is NXKKXYAKDXMEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O/c1-3-12-5-7-15(20(25)28)14(4-2)19(12)27-17-9-10-26-18-11-13(21(22,23)24)6-8-16(17)18/h5-11H,3-4H2,1-2H3,(H2,25,28)(H,26,27).
What are the key properties of 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide?
2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide has a molecular weight of 387.41 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide is sourced from PubChem (CID 175308750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).