N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide

C27H23F3N4O2 — CID 11283270

IUPACN-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C27H23F3N4O2/c28-27(29,30)19-6-11-23-24(18-19)31-13-12-25(23)33-14-16-34(17-15-33)26(35)32-20-7-9-22(10-8-20)36-21-4-2-1-3-5-21/h1-13,18H,14-17H2,(H,32,35)
InChIKeyVNFPJNRINGAMEJ-UHFFFAOYSA-N
MW492.50 g/mol
LogP6.40
Rot. Bonds4

About N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide

N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide (PubChem CID 11283270) has the molecular formula C27H23F3N4O2 and a molecular weight of 492.50 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
PubChem CID11283270
Molecular FormulaC27H23F3N4O2
Molecular Weight492.50 g/mol
Exact Mass492.18
IUPAC NameN-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1
InChIInChI=1S/C27H23F3N4O2/c28-27(29,30)19-6-11-23-24(18-19)31-13-12-25(23)33-14-16-34(17-15-33)26(35)32-20-7-9-22(10-8-20)36-21-4-2-1-3-5-21/h1-13,18H,14-17H2,(H,32,35)
InChIKeyVNFPJNRINGAMEJ-UHFFFAOYSA-N
XLogP6.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide (CID 11283270) is N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1.
What is the InChIKey of N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide?
The InChIKey is VNFPJNRINGAMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O2/c28-27(29,30)19-6-11-23-24(18-19)31-13-12-25(23)33-14-16-34(17-15-33)26(35)32-20-7-9-22(10-8-20)36-21-4-2-1-3-5-21/h1-13,18H,14-17H2,(H,32,35).
What are the key properties of N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide?
N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 6.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-4-[7-(trifluoromethyl)quinolin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 11283270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).