N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C29H19F3N2O3 — CID 165436610

IUPACN-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC/C(=N\C(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2ccc(=O)[nH]c12
InChIInChI=1S/C29H19F3N2O3/c1-17(23-6-2-4-18-9-15-26(35)34-27(18)23)33-28(36)20-8-14-24-19(16-20)5-3-7-25(24)37-22-12-10-21(11-13-22)29(30,31)32/h2-16H,1H3,(H,34,35)/b33-17+
InChIKeyOESGNBPOHYGDFQ-ATZGPIRCSA-N
MW500.48 g/mol
LogP7.14
Rot. Bonds4

About N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 165436610) has the molecular formula C29H19F3N2O3 and a molecular weight of 500.48 g/mol. Its IUPAC name is N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID165436610
Molecular FormulaC29H19F3N2O3
Molecular Weight500.48 g/mol
Exact Mass500.13
IUPAC NameN-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC/C(=N\C(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2ccc(=O)[nH]c12
InChIInChI=1S/C29H19F3N2O3/c1-17(23-6-2-4-18-9-15-26(35)34-27(18)23)33-28(36)20-8-14-24-19(16-20)5-3-7-25(24)37-22-12-10-21(11-13-22)29(30,31)32/h2-16H,1H3,(H,34,35)/b33-17+
InChIKeyOESGNBPOHYGDFQ-ATZGPIRCSA-N
XLogP7.14
TPSA71.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.48
LogP ≤ 57.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

propane;5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxylic acid
CID 163266760
N-[1-[1-(4-hydroxybutyl)azetidin-3-yl]ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155262068
N-cyano-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214031
N-ethyl-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide;formamide
CID 155713246
N-[1-[5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carbonyl]azetidin-3-yl]acetamide
CID 163266717
N-[(2S)-1-methoxypropan-2-yl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214013
N-(4-aminobutan-2-yl)-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155214020
N-[(1S)-1-(3-fluoroazetidin-3-yl)ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
CID 155213896
(4S)-6-amino-4-methyl-1-[5-[4-(trifluoromethyl)phenoxy]naphthalen-2-yl]hexan-1-one
CID 155223381
ethane;[6-(2-fluoroethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[5-[4-(trifluoromethyl)phenoxy]naphthalen-2-yl]methanone
CID 163266741
(4S)-6-(ethylamino)-4-methyl-1-[5-[4-(trifluoromethyl)phenoxy]naphthalen-2-yl]hexan-1-one
CID 177062751
[6-(2-methoxyethyl)-2,6-diazaspiro[3.3]heptan-2-yl]-[5-[4-(trifluoromethyl)phenoxy]naphthalen-2-yl]methanone
CID 163266718

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 165436610) is N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C/C(=N\C(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)c1cccc2ccc(=O)[nH]c12.
What is the InChIKey of N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is OESGNBPOHYGDFQ-ATZGPIRCSA-N. The full InChI is InChI=1S/C29H19F3N2O3/c1-17(23-6-2-4-18-9-15-26(35)34-27(18)23)33-28(36)20-8-14-24-19(16-20)5-3-7-25(24)37-22-12-10-21(11-13-22)29(30,31)32/h2-16H,1H3,(H,34,35)/b33-17+.
What are the key properties of N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 500.48 g/mol, XLogP of 7.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-oxo-1H-quinolin-8-yl)ethylidene]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 165436610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).