N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide

C17H12F2N2O2 — CID 17433698

IUPACN-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cccc2ncccc12
InChIInChI=1S/C17H12F2N2O2/c18-17(19)23-12-8-6-11(7-9-12)21-16(22)14-3-1-5-15-13(14)4-2-10-20-15/h1-10,17H,(H,21,22)
InChIKeyZZRTVEUYGXAGGA-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.09
Rot. Bonds4

About N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide

N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide (PubChem CID 17433698) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
PubChem CID17433698
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC NameN-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cccc2ncccc12
InChIInChI=1S/C17H12F2N2O2/c18-17(19)23-12-8-6-11(7-9-12)21-16(22)14-3-1-5-15-13(14)4-2-10-20-15/h1-10,17H,(H,21,22)
InChIKeyZZRTVEUYGXAGGA-UHFFFAOYSA-N
XLogP4.09
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)quinoline-5-carboxamide
CID 62069694
N-[4-(aminomethyl)phenyl]quinoline-5-carboxamide
CID 62848806
N-naphthalen-2-ylquinoline-5-carboxamide
CID 43038035
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
N-(6-amino-3-pyridinyl)quinoline-5-carboxamide
CID 62901696
N-(4-bromo-3-fluorophenyl)quinoline-5-carboxamide
CID 65429755
N-(3-carbamoyl-4-propan-2-yloxyphenyl)quinoline-5-carboxamide
CID 122145334
N-[4-(difluoromethoxy)phenyl]-2-iodobenzamide
CID 7941252
N-[4-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]quinoline-5-carboxamide
CID 167894893
N-[4-(difluoromethoxy)phenyl]-2,3-difluoropyridine-4-carboxamide
CID 105380332
2-chloro-5-(quinoline-5-carbonylamino)benzoic acid
CID 146600948
N-(3-amino-4-chlorophenyl)quinoline-5-carboxamide
CID 62851104

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide (CID 17433698) is N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1cccc2ncccc12.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide?
The InChIKey is ZZRTVEUYGXAGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c18-17(19)23-12-8-6-11(7-9-12)21-16(22)14-3-1-5-15-13(14)4-2-10-20-15/h1-10,17H,(H,21,22).
What are the key properties of N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide?
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide has a molecular weight of 314.29 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide is sourced from PubChem (CID 17433698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).