N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C23H23F3N4O — CID 22018923

IUPACN-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(NC3CCNC3)ccc2c1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)17-5-1-15(2-6-17)3-10-22(31)29-18-7-8-20-16(13-18)4-9-21(30-20)28-19-11-12-27-14-19/h1-2,4-9,13,19,27H,3,10-12,14H2,(H,28,30)(H,29,31)
InChIKeyGLTYXZMEDAEEEB-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.60
Rot. Bonds6

About N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 22018923) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID22018923
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC NameN-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(NC3CCNC3)ccc2c1
InChIInChI=1S/C23H23F3N4O/c24-23(25,26)17-5-1-15(2-6-17)3-10-22(31)29-18-7-8-20-16(13-18)4-9-21(30-20)28-19-11-12-27-14-19/h1-2,4-9,13,19,27H,3,10-12,14H2,(H,28,30)(H,29,31)
InChIKeyGLTYXZMEDAEEEB-UHFFFAOYSA-N
XLogP4.60
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-[methyl(propan-2-yl)amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22018999
tert-butyl N-[1-[6-[3-[4-(trifluoromethyl)phenyl]propanoylamino]quinolin-2-yl]pyrrolidin-3-yl]carbamate;hydrochloride
CID 22018887
N-[(3S)-pyrrolidin-3-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 79688212
N-[2-[methyl-[1-(oxolan-2-yl)ethyl]amino]quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 22019010
N-pyrrolidin-3-yl-2-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119452098
3-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 27844351
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
N-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 79740953
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 58082338

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 22018923) is N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2nc(NC3CCNC3)ccc2c1.
What is the InChIKey of N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GLTYXZMEDAEEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c24-23(25,26)17-5-1-15(2-6-17)3-10-22(31)29-18-7-8-20-16(13-18)4-9-21(30-20)28-19-11-12-27-14-19/h1-2,4-9,13,19,27H,3,10-12,14H2,(H,28,30)(H,29,31).
What are the key properties of N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 428.46 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrrolidin-3-ylamino)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22018923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).