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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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).