N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

C22H15F2N3O2 — CID 55778991

IUPACN-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H15F2N3O2/c23-22(24)29-16-5-3-4-15(12-16)26-21(28)18-13-20(14-8-10-25-11-9-14)27-19-7-2-1-6-17(18)19/h1-13,22H,(H,26,28)
InChIKeyUYOIYBKSBSTDGN-UHFFFAOYSA-N
MW391.38 g/mol
LogP5.15
Rot. Bonds5

About N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 55778991) has the molecular formula C22H15F2N3O2 and a molecular weight of 391.38 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID55778991
Molecular FormulaC22H15F2N3O2
Molecular Weight391.38 g/mol
Exact Mass391.11
IUPAC NameN-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(Nc1cccc(OC(F)F)c1)c1cc(-c2ccncc2)nc2ccccc12
InChIInChI=1S/C22H15F2N3O2/c23-22(24)29-16-5-3-4-15(12-16)26-21(28)18-13-20(14-8-10-25-11-9-14)27-19-7-2-1-6-17(18)19/h1-13,22H,(H,26,28)
InChIKeyUYOIYBKSBSTDGN-UHFFFAOYSA-N
XLogP5.15
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 43048343
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-(4-phenylmethoxyphenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 1261334
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide
CID 17372672
2-(3-propoxyphenyl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 5103750
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
2-(4-methoxyphenyl)-N-[3-(propanoylamino)phenyl]quinoline-4-carboxamide
CID 46578599
N-(2-methyl-1,3-benzoxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 41173034
2-(3-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
CID 3414941

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 55778991) is N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is O=C(Nc1cccc(OC(F)F)c1)c1cc(-c2ccncc2)nc2ccccc12.
What is the InChIKey of N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is UYOIYBKSBSTDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F2N3O2/c23-22(24)29-16-5-3-4-15(12-16)26-21(28)18-13-20(14-8-10-25-11-9-14)27-19-7-2-1-6-17(18)19/h1-13,22H,(H,26,28).
What are the key properties of N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 55778991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).