1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide

C20H14F3N3O2 — CID 109144098

IUPAC1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H14F3N3O2/c21-13-6-7-14(17(23)16(13)22)25-19(27)11-9-12(11)20(28)26-15-5-1-3-10-4-2-8-24-18(10)15/h1-8,11-12H,9H2,(H,25,27)(H,26,28)
InChIKeyXTBRKLTYZXJQOA-UHFFFAOYSA-N
MW385.35 g/mol
LogP3.87
Rot. Bonds4

About 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide

1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109144098) has the molecular formula C20H14F3N3O2 and a molecular weight of 385.35 g/mol. Its IUPAC name is 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109144098
Molecular FormulaC20H14F3N3O2
Molecular Weight385.35 g/mol
Exact Mass385.10
IUPAC Name1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)C1CC1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H14F3N3O2/c21-13-6-7-14(17(23)16(13)22)25-19(27)11-9-12(11)20(28)26-15-5-1-3-10-4-2-8-24-18(10)15/h1-8,11-12H,9H2,(H,25,27)(H,26,28)
InChIKeyXTBRKLTYZXJQOA-UHFFFAOYSA-N
XLogP3.87
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
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
1-N-(2,6-difluorophenyl)-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144245
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
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109164848
1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854
6-(quinolin-8-ylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109359773
2-N-cycloheptyl-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139804
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689

Frequently Asked Questions

What is the IUPAC name of 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109144098) is 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is O=C(Nc1ccc(F)c(F)c1F)C1CC1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XTBRKLTYZXJQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N3O2/c21-13-6-7-14(17(23)16(13)22)25-19(27)11-9-12(11)20(28)26-15-5-1-3-10-4-2-8-24-18(10)15/h1-8,11-12H,9H2,(H,25,27)(H,26,28).
What are the key properties of 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 385.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-quinolin-8-yl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109144098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).