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

C24H24F3N3O — CID 22018945

IUPACN-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1
InChIInChI=1S/C24H24F3N3O/c1-16-12-13-30(15-16)22-10-5-18-14-20(8-9-21(18)29-22)28-23(31)11-4-17-2-6-19(7-3-17)24(25,26)27/h2-3,5-10,14,16H,4,11-13,15H2,1H3,(H,28,31)
InChIKeyKMKPVJDUSNIAQE-UHFFFAOYSA-N
MW427.47 g/mol
LogP5.67
Rot. Bonds5

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

N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 22018945) has the molecular formula C24H24F3N3O and a molecular weight of 427.47 g/mol. Its IUPAC name is N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID22018945
Molecular FormulaC24H24F3N3O
Molecular Weight427.47 g/mol
Exact Mass427.19
IUPAC NameN-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1
InChIInChI=1S/C24H24F3N3O/c1-16-12-13-30(15-16)22-10-5-18-14-20(8-9-21(18)29-22)28-23(31)11-4-17-2-6-19(7-3-17)24(25,26)27/h2-3,5-10,14,16H,4,11-13,15H2,1H3,(H,28,31)
InChIKeyKMKPVJDUSNIAQE-UHFFFAOYSA-N
XLogP5.67
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 ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 22018945) is N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is CC1CCN(c2ccc3cc(NC(=O)CCc4ccc(C(F)(F)F)cc4)ccc3n2)C1.
What is the InChIKey of N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KMKPVJDUSNIAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O/c1-16-12-13-30(15-16)22-10-5-18-14-20(8-9-21(18)29-22)28-23(31)11-4-17-2-6-19(7-3-17)24(25,26)27/h2-3,5-10,14,16H,4,11-13,15H2,1H3,(H,28,31).
What are the key properties of N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 427.47 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpyrrolidin-1-yl)quinolin-6-yl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 22018945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).