1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide

C20H16FN3O2 — CID 108982341

IUPAC1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccccc1F)C1(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C20H16FN3O2/c21-14-7-1-2-8-15(14)23-18(25)20(10-11-20)19(26)24-16-9-3-5-13-6-4-12-22-17(13)16/h1-9,12H,10-11H2,(H,23,25)(H,24,26)
InChIKeyUWEYCRAGCSBRAQ-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.73
Rot. Bonds4

About 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide

1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide (PubChem CID 108982341) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
PubChem CID108982341
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccccc1F)C1(C(=O)Nc2cccc3cccnc23)CC1
InChIInChI=1S/C20H16FN3O2/c21-14-7-1-2-8-15(14)23-18(25)20(10-11-20)19(26)24-16-9-3-5-13-6-4-12-22-17(13)16/h1-9,12H,10-11H2,(H,23,25)(H,24,26)
InChIKeyUWEYCRAGCSBRAQ-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108979412
1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108971914
1-N-[2-(4-fluorophenyl)ethyl]-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108977537
1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983466
1-N-(3-cyanophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983729
1-N'-(2-fluorophenyl)-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976690
1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296
1-N-(1,1-dioxothiolan-3-yl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108978009
6-(2-fluoroanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109163204
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
1-N'-(2-fluorophenyl)-1-N-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108980761

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide (CID 108982341) is 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide is O=C(Nc1ccccc1F)C1(C(=O)Nc2cccc3cccnc23)CC1.
What is the InChIKey of 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
The InChIKey is UWEYCRAGCSBRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-14-7-1-2-8-15(14)23-18(25)20(10-11-20)19(26)24-16-9-3-5-13-6-4-12-22-17(13)16/h1-9,12H,10-11H2,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide?
1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108982341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).