1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

C20H15F2N3O2 — CID 109144099

IUPAC1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H15F2N3O2/c21-14-6-2-7-15(22)18(14)25-20(27)13-10-12(13)19(26)24-16-8-1-4-11-5-3-9-23-17(11)16/h1-9,12-13H,10H2,(H,24,26)(H,25,27)
InChIKeySIANMAWTNWEWKV-UHFFFAOYSA-N
MW367.36 g/mol
LogP3.73
Rot. Bonds4

About 1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide

1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (PubChem CID 109144099) has the molecular formula C20H15F2N3O2 and a molecular weight of 367.36 g/mol. Its IUPAC name is 1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
PubChem CID109144099
Molecular FormulaC20H15F2N3O2
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1c(F)cccc1F)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H15F2N3O2/c21-14-6-2-7-15(22)18(14)25-20(27)13-10-12(13)19(26)24-16-8-1-4-11-5-3-9-23-17(11)16/h1-9,12-13H,10H2,(H,24,26)(H,25,27)
InChIKeySIANMAWTNWEWKV-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144098
2-N-[(2-fluorophenyl)methyl]-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135997
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
2-(pyrrolidine-1-carbonyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 109131957
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144245
1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
1-N-benzyl-1-N-ethyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109136841
N-(2,6-difluorophenyl)-5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 113190625

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide (CID 109144099) is 1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is O=C(Nc1c(F)cccc1F)C1CC1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
The InChIKey is SIANMAWTNWEWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N3O2/c21-14-6-2-7-15(22)18(14)25-20(27)13-10-12(13)19(26)24-16-8-1-4-11-5-3-9-23-17(11)16/h1-9,12-13H,10H2,(H,24,26)(H,25,27).
What are the key properties of 1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide?
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide has a molecular weight of 367.36 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-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109144099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).