N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

C22H23F3N2O2 — CID 58484132

IUPACN-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)16-5-1-4-15(13-16)19-8-7-14-3-2-6-18(20(14)27-19)21(28)26-17-9-11-29-12-10-17/h1,4-5,7-8,13,17-18H,2-3,6,9-12H2,(H,26,28)
InChIKeyUNQOIIBEARMKLL-UHFFFAOYSA-N
MW404.43 g/mol
LogP4.48
Rot. Bonds3

About N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide

N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (PubChem CID 58484132) has the molecular formula C22H23F3N2O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
PubChem CID58484132
Molecular FormulaC22H23F3N2O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC NameN-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide
SMILESO=C(NC1CCOCC1)C1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21
InChIInChI=1S/C22H23F3N2O2/c23-22(24,25)16-5-1-4-15(13-16)19-8-7-14-3-2-6-18(20(14)27-19)21(28)26-17-9-11-29-12-10-17/h1,4-5,7-8,13,17-18H,2-3,6,9-12H2,(H,26,28)
InChIKeyUNQOIIBEARMKLL-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinolin-8-yl]pyrazine-2-carboxamide
CID 46205683
6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridine-4-carboxylic acid
CID 58484116
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ol
CID 58484062
6-morpholin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]pyridine-2-carboxamide
CID 46205353
N-(2,6-dimethyl-4-pyridinyl)-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 53233781
1-methyl-N-(oxolan-3-yl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800932
N-pyrrolidin-3-yl-2-[3-(trifluoromethyl)phenyl]quinoline-8-carboxamide
CID 66883790
(3-morpholin-4-ylphenyl)-[3-[6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 132773829
3-(trifluoromethyl)-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-5,6,7,8-tetrahydroquinolin-5-yl]benzamide
CID 177049778
N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
CID 161131324
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
CID 51107956

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide (CID 58484132) is N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is O=C(NC1CCOCC1)C1CCCc2ccc(-c3cccc(C(F)(F)F)c3)nc21.
What is the InChIKey of N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
The InChIKey is UNQOIIBEARMKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O2/c23-22(24,25)16-5-1-4-15(13-16)19-8-7-14-3-2-6-18(20(14)27-19)21(28)26-17-9-11-29-12-10-17/h1,4-5,7-8,13,17-18H,2-3,6,9-12H2,(H,26,28).
What are the key properties of N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide?
N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 58484132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).