N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide

C23H16F2N2O2 — CID 2318784

IUPACN-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H16F2N2O2/c24-23(25)29-17-12-10-16(11-13-17)26-22(28)19-14-21(15-6-2-1-3-7-15)27-20-9-5-4-8-18(19)20/h1-14,23H,(H,26,28)
InChIKeyQJOYGOWHPMSDTL-UHFFFAOYSA-N
MW390.39 g/mol
LogP5.76
Rot. Bonds5

About N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide

N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide (PubChem CID 2318784) has the molecular formula C23H16F2N2O2 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
PubChem CID2318784
Molecular FormulaC23H16F2N2O2
Molecular Weight390.39 g/mol
Exact Mass390.12
IUPAC NameN-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C23H16F2N2O2/c24-23(25)29-17-12-10-16(11-13-17)26-22(28)19-14-21(15-6-2-1-3-7-15)27-20-9-5-4-8-18(19)20/h1-14,23H,(H,26,28)
InChIKeyQJOYGOWHPMSDTL-UHFFFAOYSA-N
XLogP5.76
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide
CID 17372672
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylate
CID 4003521
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-[[4-(difluoromethoxy)phenyl]methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3477696
7-acetamido-2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylic acid
CID 18073616
7-methoxy-N-(4-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 164616063
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4557332
N-[4-(difluoromethoxy)phenyl]quinoline-5-carboxamide
CID 17433698
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide (CID 2318784) is N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide is O=C(Nc1ccc(OC(F)F)cc1)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide?
The InChIKey is QJOYGOWHPMSDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N2O2/c24-23(25)29-17-12-10-16(11-13-17)26-22(28)19-14-21(15-6-2-1-3-7-15)27-20-9-5-4-8-18(19)20/h1-14,23H,(H,26,28).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide?
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide has a molecular weight of 390.39 g/mol, XLogP of 5.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 2318784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).