2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

C26H19F3N4O3 — CID 167343249

IUPAC2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CC1c1ccc(Oc2ccnc3cc(-c4ccc(C(F)(F)F)nc4)ccc23)cc1
InChIInChI=1S/C26H19F3N4O3/c27-26(28,29)22-8-4-16(13-33-22)15-3-7-18-20(11-15)32-10-9-21(18)36-17-5-1-14(2-6-17)19-12-25(19,23(30)34)24(31)35/h1-11,13,19H,12H2,(H2,30,34)(H2,31,35)
InChIKeyRBQOMVIGIPDYPI-UHFFFAOYSA-N
MW492.46 g/mol
LogP4.55
Rot. Bonds6

About 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 167343249) has the molecular formula C26H19F3N4O3 and a molecular weight of 492.46 g/mol. Its IUPAC name is 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
PubChem CID167343249
Molecular FormulaC26H19F3N4O3
Molecular Weight492.46 g/mol
Exact Mass492.14
IUPAC Name2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(N)=O)CC1c1ccc(Oc2ccnc3cc(-c4ccc(C(F)(F)F)nc4)ccc23)cc1
InChIInChI=1S/C26H19F3N4O3/c27-26(28,29)22-8-4-16(13-33-22)15-3-7-18-20(11-15)32-10-9-21(18)36-17-5-1-14(2-6-17)19-12-25(19,23(30)34)24(31)35/h1-11,13,19H,12H2,(H2,30,34)(H2,31,35)
InChIKeyRBQOMVIGIPDYPI-UHFFFAOYSA-N
XLogP4.55
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343274
2-[4-[7-(5-fluoro-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343307
2-[4-[7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343247
2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343268
2-[4-[7-(2-hydroxyethoxycarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791973
2-[4-[7-(2-hydroxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791988
2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791985
2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791980
2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155792000
1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide
CID 69179253
4-[7-(3,3,4,4-tetramethylcyclopentyl)quinolin-4-yl]oxyaniline
CID 167343301
2-[4-[[7-methoxy-6-(2-methylpyrazol-3-yl)-1,5-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 155791769

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 167343249) is 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(N)=O)CC1c1ccc(Oc2ccnc3cc(-c4ccc(C(F)(F)F)nc4)ccc23)cc1.
What is the InChIKey of 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is RBQOMVIGIPDYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N4O3/c27-26(28,29)22-8-4-16(13-33-22)15-3-7-18-20(11-15)32-10-9-21(18)36-17-5-1-14(2-6-17)19-12-25(19,23(30)34)24(31)35/h1-11,13,19H,12H2,(H2,30,34)(H2,31,35).
What are the key properties of 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 492.46 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 167343249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).