N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide

C18H14F3N3O3 — CID 54564615

IUPACN-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
SMILESCOc1ccc(C(=O)/N=c2/c(C)cccn2O)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C18H14F3N3O3/c1-10-4-3-9-24(26)16(10)23-17(25)12-5-7-13(27-2)15-11(12)6-8-14(22-15)18(19,20)21/h3-9,26H,1-2H3/b23-16-
InChIKeyHORHWZNNTDMCNP-KQWNVCNZSA-N
MW377.32 g/mol
LogP3.35
Rot. Bonds2

About N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide

N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide (PubChem CID 54564615) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
PubChem CID54564615
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC NameN-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
SMILESCOc1ccc(C(=O)/N=c2/c(C)cccn2O)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C18H14F3N3O3/c1-10-4-3-9-24(26)16(10)23-17(25)12-5-7-13(27-2)15-11(12)6-8-14(22-15)18(19,20)21/h3-9,26H,1-2H3/b23-16-
InChIKeyHORHWZNNTDMCNP-KQWNVCNZSA-N
XLogP3.35
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]propan-1-one
CID 59336016
1-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-2-methylpropan-1-one
CID 70886528
8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide
CID 90858088
2-[[8-methoxy-2-(trifluoromethyl)quinoline-5-carbothioyl]amino]acetic acid
CID 143627567
5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
CID 143627564
methyl N-[(E)-4-aminobut-2-en-2-yl]-8-methoxy-2-(trifluoromethyl)quinoline-5-carboximidate
CID 143146723
ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
CID 143627563
8-methoxy-2-(trifluoromethyl)quinoline-4-carbonyl chloride
CID 18002690
3,5-dichloro-2-oxo-1H-pyridine-4-carboxamide;8-methoxy-2-(trifluoromethyl)quinoline-5-carboxylic acid
CID 70087539
4-chloro-8-methoxy-5-methyl-2-(trifluoromethyl)quinoline
CID 43668583
3-aminoprop-1-en-2-yl N-[2-(1-benzofuran-2-ylmethylamino)-2-oxoethyl]-8-methoxy-2-(trifluoromethyl)quinoline-5-carboximidate
CID 70330034
1-(8-methoxy-2-methylquinolin-5-yl)ethanone
CID 82576162

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide (CID 54564615) is N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide is COc1ccc(C(=O)/N=c2/c(C)cccn2O)c2ccc(C(F)(F)F)nc12.
What is the InChIKey of N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
The InChIKey is HORHWZNNTDMCNP-KQWNVCNZSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-10-4-3-9-24(26)16(10)23-17(25)12-5-7-13(27-2)15-11(12)6-8-14(22-15)18(19,20)21/h3-9,26H,1-2H3/b23-16-.
What are the key properties of N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide?
N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide has a molecular weight of 377.32 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide is sourced from PubChem (CID 54564615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).