N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

C24H24F3N3O — CID 22018932

IUPACN-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCCN1c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C24H24F3N3O/c1-16-3-2-14-30(16)22-12-7-18-15-20(10-11-21(18)29-22)28-23(31)13-6-17-4-8-19(9-5-17)24(25,26)27/h4-5,7-12,15-16H,2-3,6,13-14H2,1H3,(H,28,31)
InChIKeyKHHJLWFCLVTIRA-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.81
Rot. Bonds5

About N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 22018932) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID22018932
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC NameN-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCCN1c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C24H24F3N3O/c1-16-3-2-14-30(16)22-12-7-18-15-20(10-11-21(18)29-22)28-23(31)13-6-17-4-8-19(9-5-17)24(25,26)27/h4-5,7-12,15-16H,2-3,6,13-14H2,1H3,(H,28,31)
InChIKeyKHHJLWFCLVTIRA-UHFFFAOYSA-N
XLogP5.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.47
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
N-(2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018944
N-(2-(2,7-diazaspiro[4.4]nonan-2-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018957
N-(2-(3-isobutyramidopyrrolidin-1-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018964
4-methyl-N-quinolin-2-ylbenzamide
CID 2812455
N-(2-quinolinyl)cyclohexanecarboxamide
CID 2812969
4-methyl-N-(4-methyl-2-morpholin-4-ylquinolin-6-yl)cyclohexanecarboxamide
CID 3237927
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-fluorobenzamide
CID 15987804
4-methyl-N-[4-methyl-2-(4-methylpiperidin-1-yl)quinolin-6-yl]cyclohexanecarboxamide
CID 15999877
4-methyl-N-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]cyclohexane-1-carboxamide
CID 16002169
N-(4-methyl-2-{[3-(trifluoromethyl)phenyl]amino}quinolin-6-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 16021395

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 22018932) is N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is CC1CCCN1c1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1.
What is the InChIKey of N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KHHJLWFCLVTIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-16-3-2-14-30(16)22-12-7-18-15-20(10-11-21(18)29-22)28-23(31)13-6-17-4-8-19(9-5-17)24(25,26)27/h4-5,7-12,15-16H,2-3,6,13-14H2,1H3,(H,28,31).
What are the key properties of N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 427.47 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22018932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).