1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

C32H26FN3O5 — CID 175469572

IUPAC1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)c4ccccc34)c2cc1OC
InChIInChI=1S/C32H26FN3O5/c1-39-28-17-23-24(18-29(28)40-2)35-16-13-27(23)41-26-12-11-25(21-5-3-4-6-22(21)26)36(20-9-7-19(33)8-10-20)31(38)32(14-15-32)30(34)37/h3-13,16-18H,14-15H2,1-2H3,(H2,34,37)
InChIKeyVLDNMIPOWHVQJE-UHFFFAOYSA-N
MW551.57 g/mol
LogP6.27
Rot. Bonds8

About 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 175469572) has the molecular formula C32H26FN3O5 and a molecular weight of 551.57 g/mol. Its IUPAC name is 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
PubChem CID175469572
Molecular FormulaC32H26FN3O5
Molecular Weight551.57 g/mol
Exact Mass551.19
IUPAC Name1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)c4ccccc34)c2cc1OC
InChIInChI=1S/C32H26FN3O5/c1-39-28-17-23-24(18-29(28)40-2)35-16-13-27(23)41-26-12-11-25(21-5-3-4-6-22(21)26)36(20-9-7-19(33)8-10-20)31(38)32(14-15-32)30(34)37/h3-13,16-18H,14-15H2,1-2H3,(H2,34,37)
InChIKeyVLDNMIPOWHVQJE-UHFFFAOYSA-N
XLogP6.27
TPSA103.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.57
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N'-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 170901391
1-N'-[5-chloro-6-(6,7-dimethoxyquinolin-4-yl)oxy-3-pyridinyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 66678729
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;pentanedioic acid
CID 175547685
1-N'-[3-fluoro-4-[6-methoxy-7-(4-sulfanylbutoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162532588
1-N'-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 66669372
1-N'-[3-fluoro-4-[6-methoxy-7-(5-sulfanylpentoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162532592
1-N'-[3-fluoro-4-[6-methoxy-7-(6-sulfanylhexoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162532594
1-N'-[3-fluoro-4-[6-methoxy-7-[3-[methyl(3-sulfanylpropyl)amino]propoxy]quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162532584
1-N'-[3-fluoro-4-[7-[3-(1-hydroxycyclopropyl)propoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 68636414
1-N'-[4-[7-[2-(diethylamino)ethoxy]-6-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-1-N'-(4-fluorophenyl)cyclobutane-1,1-dicarboxamide
CID 66669367
1-N'-[3-fluoro-4-[6-[3-[[2-(hydroxyamino)-2-oxoethyl]amino]propoxy]-7-methoxyquinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 90315395
1-N'-[4-[6-(ethylsulfamoyl)-7-methoxyquinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 176719484

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide (CID 175469572) is 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is COc1cc2nccc(Oc3ccc(N(C(=O)C4(C(N)=O)CC4)c4ccc(F)cc4)c4ccccc34)c2cc1OC.
What is the InChIKey of 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is VLDNMIPOWHVQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN3O5/c1-39-28-17-23-24(18-29(28)40-2)35-16-13-27(23)41-26-12-11-25(21-5-3-4-6-22(21)26)36(20-9-7-19(33)8-10-20)31(38)32(14-15-32)30(34)37/h3-13,16-18H,14-15H2,1-2H3,(H2,34,37).
What are the key properties of 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide?
1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 551.57 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-(6,7-dimethoxyquinolin-4-yl)oxynaphthalen-1-yl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 175469572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).