N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C26H28F3N3O2 — CID 22019010

IUPACN-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C1CCCO1)N(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C26H28F3N3O2/c1-17(23-4-3-15-34-23)32(2)24-13-8-19-16-21(11-12-22(19)31-24)30-25(33)14-7-18-5-9-20(10-6-18)26(27,28)29/h5-6,8-13,16-17,23H,3-4,7,14-15H2,1-2H3,(H,30,33)
InChIKeyGJVPQXQVWQIGAA-UHFFFAOYSA-N
MW471.52 g/mol
LogP5.83
Rot. Bonds7

About N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 22019010) has the molecular formula C26H28F3N3O2 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID22019010
Molecular FormulaC26H28F3N3O2
Molecular Weight471.52 g/mol
Exact Mass471.21
IUPAC NameN-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC(C1CCCO1)N(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C26H28F3N3O2/c1-17(23-4-3-15-34-23)32(2)24-13-8-19-16-21(11-12-22(19)31-24)30-25(33)14-7-18-5-9-20(10-6-18)26(27,28)29/h5-6,8-13,16-17,23H,3-4,7,14-15H2,1-2H3,(H,30,33)
InChIKeyGJVPQXQVWQIGAA-UHFFFAOYSA-N
XLogP5.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.52
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22018999
N-[2-(propan-2-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22018977
N-[2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22018944
N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22018923
tert-butyl N-[1-[6-[3-[4-(trifluoromethyl)phenyl]propanoylamino]quinolin-2-yl]pyrrolidin-3-yl]carbamate;hydrochloride
CID 22018887
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
N-[1-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)aniline
CID 62646141
3-[acetyl-[2-(4-fluorophenyl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 113121176
N-[2-(dimethylamino)quinolin-6-yl]-3-(1H-imidazol-5-yl)propanamide
CID 126785822
N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]-3-phenylpropanamide
CID 7346632
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 35272557

Frequently Asked Questions

What is the IUPAC name of N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 22019010) is N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is CC(C1CCCO1)N(C)c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1.
What is the InChIKey of N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GJVPQXQVWQIGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F3N3O2/c1-17(23-4-3-15-34-23)32(2)24-13-8-19-16-21(11-12-22(19)31-24)30-25(33)14-7-18-5-9-20(10-6-18)26(27,28)29/h5-6,8-13,16-17,23H,3-4,7,14-15H2,1-2H3,(H,30,33).
What are the key properties of N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 471.52 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22019010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).