N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C23H22F3N3O2 — CID 10025637

IUPACN-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C23H22F3N3O2/c1-15-12-21(29-10-2-3-11-29)28-20-9-6-17(13-19(15)20)27-22(30)14-31-18-7-4-16(5-8-18)23(24,25)26/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,27,30)
InChIKeyRSMBMIJRBXTECL-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.18
Rot. Bonds5

About N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 10025637) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID10025637
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC NameN-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1cc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C23H22F3N3O2/c1-15-12-21(29-10-2-3-11-29)28-20-9-6-17(13-19(15)20)27-22(30)14-31-18-7-4-16(5-8-18)23(24,25)26/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,27,30)
InChIKeyRSMBMIJRBXTECL-UHFFFAOYSA-N
XLogP5.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 10025637) is N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is Cc1cc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is RSMBMIJRBXTECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c1-15-12-21(29-10-2-3-11-29)28-20-9-6-17(13-19(15)20)27-22(30)14-31-18-7-4-16(5-8-18)23(24,25)26/h4-9,12-13H,2-3,10-11,14H2,1H3,(H,27,30).
What are the key properties of N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 429.44 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyrrolidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 10025637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).