N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide

C26H22F3N3O — CID 10173726

IUPACN-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCCc1cc(N)c2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C26H22F3N3O/c1-2-3-20-15-23(30)22-14-21(12-13-24(22)31-20)32-25(33)18-6-4-16(5-7-18)17-8-10-19(11-9-17)26(27,28)29/h4-15H,2-3H2,1H3,(H2,30,31)(H,32,33)
InChIKeyRHMZTDUJISCDBB-UHFFFAOYSA-N
MW449.48 g/mol
LogP6.71
Rot. Bonds5

About N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide

N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 10173726) has the molecular formula C26H22F3N3O and a molecular weight of 449.48 g/mol. Its IUPAC name is N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID10173726
Molecular FormulaC26H22F3N3O
Molecular Weight449.48 g/mol
Exact Mass449.17
IUPAC NameN-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCCCc1cc(N)c2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C26H22F3N3O/c1-2-3-20-15-23(30)22-14-21(12-13-24(22)31-20)32-25(33)18-6-4-16(5-7-18)17-8-10-19(11-9-17)26(27,28)29/h4-15H,2-3H2,1H3,(H2,30,31)(H,32,33)
InChIKeyRHMZTDUJISCDBB-UHFFFAOYSA-N
XLogP6.71
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.48
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide (CID 10173726) is N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is CCCc1cc(N)c2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1.
What is the InChIKey of N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is RHMZTDUJISCDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O/c1-2-3-20-15-23(30)22-14-21(12-13-24(22)31-20)32-25(33)18-6-4-16(5-7-18)17-8-10-19(11-9-17)26(27,28)29/h4-15H,2-3H2,1H3,(H2,30,31)(H,32,33).
What are the key properties of N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide?
N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 449.48 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-propylquinolin-6-yl)-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 10173726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).