4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide

C16H10ClFN2O — CID 71566439

IUPAC4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cc2F)c2ccccc2n1
InChIInChI=1S/C16H10ClFN2O/c17-9-5-6-10(13(18)7-9)12-8-15(16(19)21)20-14-4-2-1-3-11(12)14/h1-8H,(H2,19,21)
InChIKeyWNSNNHHDGNOSEI-UHFFFAOYSA-N
MW300.72 g/mol
LogP3.79
Rot. Bonds2

About 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide

4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide (PubChem CID 71566439) has the molecular formula C16H10ClFN2O and a molecular weight of 300.72 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide
PubChem CID71566439
Molecular FormulaC16H10ClFN2O
Molecular Weight300.72 g/mol
Exact Mass300.05
IUPAC Name4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(Cl)cc2F)c2ccccc2n1
InChIInChI=1S/C16H10ClFN2O/c17-9-5-6-10(13(18)7-9)12-8-15(16(19)21)20-14-4-2-1-3-11(12)14/h1-8H,(H2,19,21)
InChIKeyWNSNNHHDGNOSEI-UHFFFAOYSA-N
XLogP3.79
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.72
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide (CID 71566439) is 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(Cl)cc2F)c2ccccc2n1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide?
The InChIKey is WNSNNHHDGNOSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN2O/c17-9-5-6-10(13(18)7-9)12-8-15(16(19)21)20-14-4-2-1-3-11(12)14/h1-8H,(H2,19,21).
What are the key properties of 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide?
4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide has a molecular weight of 300.72 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 71566439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).