2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

C24H21N5O4 — CID 155791980

IUPAC2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)c2cc1-c1ncc[nH]1
InChIInChI=1S/C24H21N5O4/c1-32-20-11-18-15(10-16(20)21-28-8-9-29-21)19(6-7-27-18)33-14-4-2-13(3-5-14)17-12-24(17,22(25)30)23(26)31/h2-11,17H,12H2,1H3,(H2,25,30)(H2,26,31)(H,28,29)
InChIKeyFJBOMOSIBGVNCT-UHFFFAOYSA-N
MW443.46 g/mol
LogP2.87
Rot. Bonds7

About 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide

2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 155791980) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
PubChem CID155791980
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)c2cc1-c1ncc[nH]1
InChIInChI=1S/C24H21N5O4/c1-32-20-11-18-15(10-16(20)21-28-8-9-29-21)19(6-7-27-18)33-14-4-2-13(3-5-14)17-12-24(17,22(25)30)23(26)31/h2-11,17H,12H2,1H3,(H2,25,30)(H2,26,31)(H,28,29)
InChIKeyFJBOMOSIBGVNCT-UHFFFAOYSA-N
XLogP2.87
TPSA146.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791985
2-[4-[7-methoxy-6-[(1-methylazetidin-3-yl)carbamoyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155792000
2-[4-[7-(2-hydroxyethoxy)-6-(methylcarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791988
2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343274
2-[4-(7-pyrimidin-4-ylquinolin-4-yl)oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343268
2-[4-[[7-methoxy-6-(2-methylpyrazol-3-yl)-1,5-naphthyridin-4-yl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 155791769
2-[4-[7-(5-fluoro-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343307
2-[4-[7-(2-hydroxyethoxycarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791973
2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343249
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
2-[4-[7-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343247
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide (CID 155791980) is 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is COc1cc2nccc(Oc3ccc(C4CC4(C(N)=O)C(N)=O)cc3)c2cc1-c1ncc[nH]1.
What is the InChIKey of 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is FJBOMOSIBGVNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-32-20-11-18-15(10-16(20)21-28-8-9-29-21)19(6-7-27-18)33-14-4-2-13(3-5-14)17-12-24(17,22(25)30)23(26)31/h2-11,17H,12H2,1H3,(H2,25,30)(H2,26,31)(H,28,29).
What are the key properties of 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide?
2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 443.46 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(1H-imidazol-2-yl)-7-methoxyquinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 155791980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).