N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide

C27H23F3N4O3 — CID 70853136

IUPACN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1ccc2cccc(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C27H23F3N4O3/c28-27(29,30)37-21-7-1-5-19(16-21)22-8-2-4-18-10-11-23(32-25(18)22)26(35)33-24-9-3-6-20(31-24)17-34-12-14-36-15-13-34/h1-11,16H,12-15,17H2,(H,31,33,35)
InChIKeyDUAJYDDWTPKSIV-UHFFFAOYSA-N
MW508.50 g/mol
LogP5.28
Rot. Bonds6

About N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide

N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide (PubChem CID 70853136) has the molecular formula C27H23F3N4O3 and a molecular weight of 508.50 g/mol. Its IUPAC name is N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
PubChem CID70853136
Molecular FormulaC27H23F3N4O3
Molecular Weight508.50 g/mol
Exact Mass508.17
IUPAC NameN-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCOCC2)n1)c1ccc2cccc(-c3cccc(OC(F)(F)F)c3)c2n1
InChIInChI=1S/C27H23F3N4O3/c28-27(29,30)37-21-7-1-5-19(16-21)22-8-2-4-18-10-11-23(32-25(18)22)26(35)33-24-9-3-6-20(31-24)17-34-12-14-36-15-13-34/h1-11,16H,12-15,17H2,(H,31,33,35)
InChIKeyDUAJYDDWTPKSIV-UHFFFAOYSA-N
XLogP5.28
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.50
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
The IUPAC name of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide (CID 70853136) is N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
The canonical SMILES for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide is O=C(Nc1cccc(CN2CCOCC2)n1)c1ccc2cccc(-c3cccc(OC(F)(F)F)c3)c2n1.
What is the InChIKey of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
The InChIKey is DUAJYDDWTPKSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N4O3/c28-27(29,30)37-21-7-1-5-19(16-21)22-8-2-4-18-10-11-23(32-25(18)22)26(35)33-24-9-3-6-20(31-24)17-34-12-14-36-15-13-34/h1-11,16H,12-15,17H2,(H,31,33,35).
What are the key properties of N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide?
N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide has a molecular weight of 508.50 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]-8-[3-(trifluoromethoxy)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 70853136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).