N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C23H24F3N3O — CID 22018999

IUPACN-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C23H24F3N3O/c1-15(2)29(3)21-12-7-17-14-19(10-11-20(17)28-21)27-22(30)13-6-16-4-8-18(9-5-16)23(24,25)26/h4-5,7-12,14-15H,6,13H2,1-3H3,(H,27,30)
InChIKeyMPLZJJHETRKHRI-UHFFFAOYSA-N
MW415.46 g/mol
LogP5.67
Rot. Bonds6

About N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 22018999) has the molecular formula C23H24F3N3O and a molecular weight of 415.46 g/mol. Its IUPAC name is N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID22018999
Molecular FormulaC23H24F3N3O
Molecular Weight415.46 g/mol
Exact Mass415.19
IUPAC NameN-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C)N(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C23H24F3N3O/c1-15(2)29(3)21-12-7-17-14-19(10-11-20(17)28-21)27-22(30)13-6-16-4-8-18(9-5-16)23(24,25)26/h4-5,7-12,14-15H,6,13H2,1-3H3,(H,27,30)
InChIKeyMPLZJJHETRKHRI-UHFFFAOYSA-N
XLogP5.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.46
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22019010
N-[2-(propan-2-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22018977
N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22018923
N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22018944
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
tert-butyl N-[1-[6-[3-[4-(trifluoromethyl)phenyl]propanoylamino]quinolin-2-yl]pyrrolidin-3-yl]carbamate;hydrochloride
CID 22018887
N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide
CID 126785822
N-[3,5-bis(trifluoromethyl)phenyl]-3-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 28557405
3-[4-[(4-methylphenyl)sulfamoyl]phenyl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 2234602
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
N-[6-(trifluoromethyl)naphthalen-2-yl]propanamide
CID 54419998

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 22018999) is N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is CC(C)N(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1.
What is the InChIKey of N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MPLZJJHETRKHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O/c1-15(2)29(3)21-12-7-17-14-19(10-11-20(17)28-21)27-22(30)13-6-16-4-8-18(9-5-16)23(24,25)26/h4-5,7-12,14-15H,6,13H2,1-3H3,(H,27,30).
What are the key properties of N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 415.46 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22018999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).