N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide

C23H15ClF3N3O2 — CID 44583626

IUPACN-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide
SMILESNc1cccc2c(Oc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12
InChIInChI=1S/C23H15ClF3N3O2/c24-18-8-7-13(11-17(18)23(25,26)27)22(31)30-14-3-1-4-15(12-14)32-20-9-10-29-21-16(20)5-2-6-19(21)28/h1-12H,28H2,(H,30,31)
InChIKeyWUYOWTAXFIXJCN-UHFFFAOYSA-N
MW457.84 g/mol
LogP6.53
Rot. Bonds4

About N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide

N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide (PubChem CID 44583626) has the molecular formula C23H15ClF3N3O2 and a molecular weight of 457.84 g/mol. Its IUPAC name is N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide
PubChem CID44583626
Molecular FormulaC23H15ClF3N3O2
Molecular Weight457.84 g/mol
Exact Mass457.08
IUPAC NameN-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide
SMILESNc1cccc2c(Oc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12
InChIInChI=1S/C23H15ClF3N3O2/c24-18-8-7-13(11-17(18)23(25,26)27)22(31)30-14-3-1-4-15(12-14)32-20-9-10-29-21-16(20)5-2-6-19(21)28/h1-12H,28H2,(H,30,31)
InChIKeyWUYOWTAXFIXJCN-UHFFFAOYSA-N
XLogP6.53
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.84
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide (CID 44583626) is N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide is Nc1cccc2c(Oc3cccc(NC(=O)c4ccc(Cl)c(C(F)(F)F)c4)c3)ccnc12.
What is the InChIKey of N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide?
The InChIKey is WUYOWTAXFIXJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF3N3O2/c24-18-8-7-13(11-17(18)23(25,26)27)22(31)30-14-3-1-4-15(12-14)32-20-9-10-29-21-16(20)5-2-6-19(21)28/h1-12H,28H2,(H,30,31).
What are the key properties of N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide?
N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide has a molecular weight of 457.84 g/mol, XLogP of 6.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-aminoquinolin-4-yl)oxyphenyl]-4-chloro-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 44583626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).