4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide

C17H12F2N2O2 — CID 71566346

IUPAC4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C17H12F2N2O2/c18-17(19)23-11-7-5-10(6-8-11)13-9-15(16(20)22)21-14-4-2-1-3-12(13)14/h1-9,17H,(H2,20,22)
InChIKeyBTOSCRNJIXJVPC-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.60
Rot. Bonds4

About 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide

4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide (PubChem CID 71566346) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide
PubChem CID71566346
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(OC(F)F)cc2)c2ccccc2n1
InChIInChI=1S/C17H12F2N2O2/c18-17(19)23-11-7-5-10(6-8-11)13-9-15(16(20)22)21-14-4-2-1-3-12(13)14/h1-9,17H,(H2,20,22)
InChIKeyBTOSCRNJIXJVPC-UHFFFAOYSA-N
XLogP3.60
TPSA65.21 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 ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)quinoline-2-carboxamide
CID 71566349
4-(6-cyclopropyl-3-pyridinyl)quinoline-2-carboxamide
CID 66851974
4-(3-nitrophenyl)quinoline-2-carboxamide
CID 70487298
2-[2-(difluoromethoxy)phenyl]-4-phenylquinoline
CID 8966170
4-ethylquinoline-2-carboxamide
CID 174714299
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
4-(4-aminophenyl)-7-methylquinoline-2-carboxamide
CID 123481673
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-2-methylquinoline-4-carboxamide
CID 6142695
3,4-bis[4-(difluoromethoxy)phenyl]-1H-pyrrole
CID 151277815
[2-oxo-2-(prop-2-enylamino)ethyl] 2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylate
CID 2685057
4-(5-methyl-1-phenylpyrazol-4-yl)quinoline-2-carboxamide
CID 71566348

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide (CID 71566346) is 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(OC(F)F)cc2)c2ccccc2n1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide?
The InChIKey is BTOSCRNJIXJVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c18-17(19)23-11-7-5-10(6-8-11)13-9-15(16(20)22)21-14-4-2-1-3-12(13)14/h1-9,17H,(H2,20,22).
What are the key properties of 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide?
4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide has a molecular weight of 314.29 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]quinoline-2-carboxamide is sourced from PubChem (CID 71566346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).