N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride

C18H15ClF3N3O — CID 21433856

IUPACN-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
SMILESCNC(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1.Cl
InChIInChI=1S/C18H14F3N3O.ClH/c1-22-17(25)11-2-5-13(6-3-11)24-15-8-9-23-16-10-12(18(19,20)21)4-7-14(15)16;/h2-10H,1H3,(H,22,25)(H,23,24);1H
InChIKeyDEEZVUSLPFIQKO-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.78
Rot. Bonds3

About N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride

N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride (PubChem CID 21433856) has the molecular formula C18H15ClF3N3O and a molecular weight of 381.79 g/mol. Its IUPAC name is N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
PubChem CID21433856
Molecular FormulaC18H15ClF3N3O
Molecular Weight381.79 g/mol
Exact Mass381.09
IUPAC NameN-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride
SMILESCNC(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1.Cl
InChIInChI=1S/C18H14F3N3O.ClH/c1-22-17(25)11-2-5-13(6-3-11)24-15-8-9-23-16-10-12(18(19,20)21)4-7-14(15)16;/h2-10H,1H3,(H,22,25)(H,23,24);1H
InChIKeyDEEZVUSLPFIQKO-UHFFFAOYSA-N
XLogP4.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.78
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-propan-2-yl-3-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide
CID 164852738
7-chloro-N-[4-(trifluoromethyl)phenyl]quinolin-4-amine;hydrochloride
CID 171931176
[1-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]ethylideneamino]thiourea
CID 91382598
N,N-dimethyl-4-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzoyl]piperazine-1-sulfonamide
CID 3055246
3-[[6-(trifluoromethyl)quinolin-4-yl]amino]benzoic acid
CID 46397739
4-[(7-fluoroquinolin-4-yl)amino]benzoic acid
CID 54773030
[7-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 15585954
2,6-bis(diethylaminomethyl)-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenol
CID 10096462
N-ethyl-2-[[7-(trifluoromethyl)quinolin-4-yl]amino]acetamide
CID 86802912
2,2-dimethyl-N-[2-[[7-(trifluoromethyl)quinolin-4-yl]amino]ethyl]propanamide
CID 133402575
methyl 2-[2-[(7-chloroquinolin-4-yl)amino]-4-(trifluoromethyl)phenyl]acetate
CID 157172040

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride?
The IUPAC name of N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride (CID 21433856) is N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride.
What is the SMILES notation for N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride?
The canonical SMILES for N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride is CNC(=O)c1ccc(Nc2ccnc3cc(C(F)(F)F)ccc23)cc1.Cl.
What is the InChIKey of N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride?
The InChIKey is DEEZVUSLPFIQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O.ClH/c1-22-17(25)11-2-5-13(6-3-11)24-15-8-9-23-16-10-12(18(19,20)21)4-7-14(15)16;/h2-10H,1H3,(H,22,25)(H,23,24);1H.
What are the key properties of N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride?
N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride has a molecular weight of 381.79 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[7-(trifluoromethyl)quinolin-4-yl]amino]benzamide;hydrochloride is sourced from PubChem (CID 21433856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).