7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide

C20H18F4N4O — CID 46473817

IUPAC7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c2ccc(F)cc2n1
InChIInChI=1S/C20H18F4N4O/c1-12-9-16(15-5-4-14(21)10-17(15)28-12)19(29)26-8-2-7-25-18-6-3-13(11-27-18)20(22,23)24/h3-6,9-11H,2,7-8H2,1H3,(H,25,27)(H,26,29)
InChIKeyQJBIIJQZYXCBFN-UHFFFAOYSA-N
MW406.38 g/mol
LogP4.33
Rot. Bonds6

About 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide

7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide (PubChem CID 46473817) has the molecular formula C20H18F4N4O and a molecular weight of 406.38 g/mol. Its IUPAC name is 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide
PubChem CID46473817
Molecular FormulaC20H18F4N4O
Molecular Weight406.38 g/mol
Exact Mass406.14
IUPAC Name7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c2ccc(F)cc2n1
InChIInChI=1S/C20H18F4N4O/c1-12-9-16(15-5-4-14(21)10-17(15)28-12)19(29)26-8-2-7-25-18-6-3-13(11-27-18)20(22,23)24/h3-6,9-11H,2,7-8H2,1H3,(H,25,27)(H,26,29)
InChIKeyQJBIIJQZYXCBFN-UHFFFAOYSA-N
XLogP4.33
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.38
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
4-fluoro-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]-1-benzothiophene-2-carboxamide
CID 46427172
3,4-dimethyl-5-(methylsulfamoyl)-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
CID 46426611
7-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-2-methylquinoline-4-carboxamide
CID 86930224
7-fluoro-2-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 131917230
1-amino-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]cyclopropane-1-carboxamide
CID 119853879
3-bromo-4-ethoxy-5-methoxy-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]benzamide
CID 46473548
N-[2-(3,4-dimethoxyphenyl)ethyl]-7-fluoro-2-methylquinoline-4-carboxamide
CID 46422325
N-cyclohexyl-7-fluoro-2-methylquinoline-4-carboxamide
CID 46409117
7-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylquinoline-4-carboxamide
CID 111486130
4-(2,5-dimethylthiophen-3-yl)-4-oxo-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]butanamide
CID 46426990
1-[(4-fluorophenyl)methyl]-2-methyl-3-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]guanidine;hydroiodide
CID 111232796

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide (CID 46473817) is 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide is Cc1cc(C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide?
The InChIKey is QJBIIJQZYXCBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4N4O/c1-12-9-16(15-5-4-14(21)10-17(15)28-12)19(29)26-8-2-7-25-18-6-3-13(11-27-18)20(22,23)24/h3-6,9-11H,2,7-8H2,1H3,(H,25,27)(H,26,29).
What are the key properties of 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide?
7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide has a molecular weight of 406.38 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-N-[3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propyl]quinoline-4-carboxamide is sourced from PubChem (CID 46473817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).