7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine

C21H22F3N3 — CID 175761070

IUPAC7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine
SMILESCNc1ccc2c(NC(C)c3cccc(C(F)(F)F)c3C)cc(C)nc2c1
InChIInChI=1S/C21H22F3N3/c1-12-10-19(17-9-8-15(25-4)11-20(17)26-12)27-14(3)16-6-5-7-18(13(16)2)21(22,23)24/h5-11,14,25H,1-4H3,(H,26,27)
InChIKeyHLQKOAUKSMNRBE-UHFFFAOYSA-N
MW373.42 g/mol
LogP6.09
Rot. Bonds4

About 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine

7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine (PubChem CID 175761070) has the molecular formula C21H22F3N3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine.

Molecular Properties

Compound Name7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine
PubChem CID175761070
Molecular FormulaC21H22F3N3
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC Name7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine
SMILESCNc1ccc2c(NC(C)c3cccc(C(F)(F)F)c3C)cc(C)nc2c1
InChIInChI=1S/C21H22F3N3/c1-12-10-19(17-9-8-15(25-4)11-20(17)26-12)27-14(3)16-6-5-7-18(13(16)2)21(22,23)24/h5-11,14,25H,1-4H3,(H,26,27)
InChIKeyHLQKOAUKSMNRBE-UHFFFAOYSA-N
XLogP6.09
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.42
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinolin-4-amine
CID 175944503
2-methyl-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-piperazin-1-ylquinolin-4-amine
CID 170555847
N,N-dimethyl-2-[4-[2-methyl-4-[[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]quinolin-6-yl]-2-oxo-1-pyridinyl]acetamide
CID 170555779
6-dimethylphosphoryl-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-7-N-propan-2-ylquinazoline-4,7-diamine
CID 175261907
2,3-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43105751
N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]phthalazin-1-amine
CID 170158881
2-methyl-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]spiro[7,9-dihydro-[1,4]dioxepino[2,3-g]quinazoline-8,1'-cyclobutane]-4-amine
CID 167153966
6-dimethylphosphoryl-2-methyl-4-N-[(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinazoline-4,7-diamine
CID 167166014
2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]-6-phosphoroso-7-N-(2,2,2-trifluoroethyl)quinazoline-4,7-diamine
CID 175374887
2-[7-dimethylphosphoryl-2-methyl-4-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethylamino]quinazolin-6-yl]propan-2-ol
CID 175261730
6-bromo-2-(difluoromethyl)-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]pyrido[3,4-d]pyrimidin-4-amine
CID 174191129
6-bromo-7-N-(3,3-difluorocyclobutyl)-2-methyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinazoline-4,7-diamine
CID 175374890

Frequently Asked Questions

What is the IUPAC name of 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine?
The IUPAC name of 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine (CID 175761070) is 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine.
What is the SMILES notation for 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine?
The canonical SMILES for 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine is CNc1ccc2c(NC(C)c3cccc(C(F)(F)F)c3C)cc(C)nc2c1.
What is the InChIKey of 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine?
The InChIKey is HLQKOAUKSMNRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3/c1-12-10-19(17-9-8-15(25-4)11-20(17)26-12)27-14(3)16-6-5-7-18(13(16)2)21(22,23)24/h5-11,14,25H,1-4H3,(H,26,27).
What are the key properties of 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine?
7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine has a molecular weight of 373.42 g/mol, XLogP of 6.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N,2-dimethyl-4-N-[1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl]quinoline-4,7-diamine is sourced from PubChem (CID 175761070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).