8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide

C18H14F3N3O2 — CID 90858088

IUPAC8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccncc2C)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C18H14F3N3O2/c1-10-9-22-8-7-13(10)23-17(25)12-3-5-14(26-2)16-11(12)4-6-15(24-16)18(19,20)21/h3-9H,1-2H3,(H,22,23,25)
InChIKeyXGPQVOABJRSBCT-UHFFFAOYSA-N
MW361.32 g/mol
LogP4.22
Rot. Bonds3

About 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide

8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide (PubChem CID 90858088) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide
PubChem CID90858088
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccncc2C)c2ccc(C(F)(F)F)nc12
InChIInChI=1S/C18H14F3N3O2/c1-10-9-22-8-7-13(10)23-17(25)12-3-5-14(26-2)16-11(12)4-6-15(24-16)18(19,20)21/h3-9H,1-2H3,(H,22,23,25)
InChIKeyXGPQVOABJRSBCT-UHFFFAOYSA-N
XLogP4.22
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-[8-methoxy-2-(trifluoromethyl)quinolin-5-yl]-1-oxidopyridin-1-ium-4-carboxamide
CID 141165278
2-[[8-methoxy-2-(trifluoromethyl)quinoline-5-carbothioyl]amino]acetic acid
CID 143627567
N-(1-hydroxy-3-methyl-2-pyridinylidene)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide
CID 54564615
methyl 4-[[8-(difluoromethoxy)-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3,5-difluorobenzoate
CID 151624521
4-hydrazinyl-N-(3-methyl-4-pyridinyl)pyridine-3-carboxamide
CID 81249230
ethane;5-ethyl-8-methoxy-2-(trifluoromethyl)quinoline
CID 143627563
ethyl (4S)-4-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[[8-methoxy-2-(trifluoromethyl)quinoline-5-carbonyl]amino]-3-oxopentanoate
CID 70827637
4-[(3-methoxypyridine-4-carbonyl)amino]-3-methylbenzoic acid
CID 105063077
N-(2-methoxy-5-methylphenyl)isoquinoline-8-carboxamide
CID 110860308
methyl N-[(E)-4-aminobut-2-en-2-yl]-8-methoxy-2-(trifluoromethyl)quinoline-5-carboximidate
CID 143146723

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide?
The IUPAC name of 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide (CID 90858088) is 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide.
What is the SMILES notation for 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide?
The canonical SMILES for 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide is COc1ccc(C(=O)Nc2ccncc2C)c2ccc(C(F)(F)F)nc12.
What is the InChIKey of 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide?
The InChIKey is XGPQVOABJRSBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c1-10-9-22-8-7-13(10)23-17(25)12-3-5-14(26-2)16-11(12)4-6-15(24-16)18(19,20)21/h3-9H,1-2H3,(H,22,23,25).
What are the key properties of 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide?
8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide has a molecular weight of 361.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(3-methyl-4-pyridinyl)-2-(trifluoromethyl)quinoline-5-carboxamide is sourced from PubChem (CID 90858088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).