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

C26H22N4O3 — CID 167343274

IUPAC2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(-c2ccc3c(Oc4ccc(C5CC5(C(N)=O)C(N)=O)cc4)ccnc3c2)cn1
InChIInChI=1S/C26H22N4O3/c1-15-2-3-18(14-30-15)17-6-9-20-22(12-17)29-11-10-23(20)33-19-7-4-16(5-8-19)21-13-26(21,24(27)31)25(28)32/h2-12,14,21H,13H2,1H3,(H2,27,31)(H2,28,32)
InChIKeyTUGZYPAXRYSGAW-UHFFFAOYSA-N
MW438.49 g/mol
LogP3.84
Rot. Bonds6

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

2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 167343274) has the molecular formula C26H22N4O3 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
PubChem CID167343274
Molecular FormulaC26H22N4O3
Molecular Weight438.49 g/mol
Exact Mass438.17
IUPAC Name2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCc1ccc(-c2ccc3c(Oc4ccc(C5CC5(C(N)=O)C(N)=O)cc4)ccnc3c2)cn1
InChIInChI=1S/C26H22N4O3/c1-15-2-3-18(14-30-15)17-6-9-20-22(12-17)29-11-10-23(20)33-19-7-4-16(5-8-19)21-13-26(21,24(27)31)25(28)32/h2-12,14,21H,13H2,1H3,(H2,27,31)(H2,28,32)
InChIKeyTUGZYPAXRYSGAW-UHFFFAOYSA-N
XLogP3.84
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 53.84
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-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343249
2-[4-[7-(5-fluoro-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343307
2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343268
2-[4-[7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343247
2-[4-[7-(2-hydroxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791988
2-[4-[7-(2-hydroxyethoxycarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791973
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
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
1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide
CID 69179253

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 167343274) is 2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is Cc1ccc(-c2ccc3c(Oc4ccc(C5CC5(C(N)=O)C(N)=O)cc4)ccnc3c2)cn1.
What is the InChIKey of 2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is TUGZYPAXRYSGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O3/c1-15-2-3-18(14-30-15)17-6-9-20-22(12-17)29-11-10-23(20)33-19-7-4-16(5-8-19)21-13-26(21,24(27)31)25(28)32/h2-12,14,21H,13H2,1H3,(H2,27,31)(H2,28,32).
What are the key properties of 2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 438.49 g/mol, XLogP of 3.84, 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-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 167343274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).