N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide

C18H22F3N3O — CID 135095592

IUPACN,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide
SMILESCNC(=O)CCC(C)(C)Nc1cc(C)nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H22F3N3O/c1-11-9-15(24-17(2,3)8-7-16(25)22-4)13-6-5-12(18(19,20)21)10-14(13)23-11/h5-6,9-10H,7-8H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyCBCXVSWWJFGCGU-UHFFFAOYSA-N
MW353.39 g/mol
LogP4.28
Rot. Bonds5

About N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide

N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide (PubChem CID 135095592) has the molecular formula C18H22F3N3O and a molecular weight of 353.39 g/mol. Its IUPAC name is N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide.

Molecular Properties

Compound NameN,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide
PubChem CID135095592
Molecular FormulaC18H22F3N3O
Molecular Weight353.39 g/mol
Exact Mass353.17
IUPAC NameN,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide
SMILESCNC(=O)CCC(C)(C)Nc1cc(C)nc2cc(C(F)(F)F)ccc12
InChIInChI=1S/C18H22F3N3O/c1-11-9-15(24-17(2,3)8-7-16(25)22-4)13-6-5-12(18(19,20)21)10-14(13)23-11/h5-6,9-10H,7-8H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyCBCXVSWWJFGCGU-UHFFFAOYSA-N
XLogP4.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-4-[(2-methylquinolin-4-yl)amino]pentanoic acid
CID 62041805
2-methyl-7-(trifluoromethyl)quinoline-4-carboxamide
CID 82574068
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
[5-chloro-2-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-phenylmethanone
CID 23477016
N-(2-bromo-4-methylphenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23476982
2-methyl-N-(2-pyrazol-1-ylethyl)-7-(trifluoromethyl)quinolin-4-amine
CID 134698161
N-(2,4-dinitrophenyl)-2-methyl-7-(trifluoromethyl)quinolin-4-amine
CID 23477052
3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 115502066
2-methyl-N-[(3S)-oxolan-3-yl]-7-(trifluoromethyl)quinolin-4-amine
CID 171359188
N-methyl-3-[4-(trifluoromethyl)anilino]propanamide
CID 62326575
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
CID 82575136

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide?
The IUPAC name of N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide (CID 135095592) is N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide.
What is the SMILES notation for N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide?
The canonical SMILES for N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide is CNC(=O)CCC(C)(C)Nc1cc(C)nc2cc(C(F)(F)F)ccc12.
What is the InChIKey of N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide?
The InChIKey is CBCXVSWWJFGCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N3O/c1-11-9-15(24-17(2,3)8-7-16(25)22-4)13-6-5-12(18(19,20)21)10-14(13)23-11/h5-6,9-10H,7-8H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide?
N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide has a molecular weight of 353.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]pentanamide is sourced from PubChem (CID 135095592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).