N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide

C23H14Cl2F2N2O2 — CID 17372672

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C23H14Cl2F2N2O2/c24-14-5-3-4-13(10-14)20-12-17(16-6-1-2-7-19(16)29-20)22(30)28-15-8-9-21(18(25)11-15)31-23(26)27/h1-12,23H,(H,28,30)
InChIKeyXVANUNCGMWVCPJ-UHFFFAOYSA-N
MW459.28 g/mol
LogP7.06
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide (PubChem CID 17372672) has the molecular formula C23H14Cl2F2N2O2 and a molecular weight of 459.28 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide
PubChem CID17372672
Molecular FormulaC23H14Cl2F2N2O2
Molecular Weight459.28 g/mol
Exact Mass458.04
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(-c2cccc(Cl)c2)nc2ccccc12
InChIInChI=1S/C23H14Cl2F2N2O2/c24-14-5-3-4-13(10-14)20-12-17(16-6-1-2-7-19(16)29-20)22(30)28-15-8-9-21(18(25)11-15)31-23(26)27/h1-12,23H,(H,28,30)
InChIKeyXVANUNCGMWVCPJ-UHFFFAOYSA-N
XLogP7.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.28
LogP ≤ 57.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-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-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512143
N-[3-(difluoromethoxy)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55778991
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2-(3-bromophenyl)-N-(3,5-dichlorophenyl)quinoline-4-carboxamide
CID 4278826
2-(4-bromophenyl)-N-(3-chloro-4-fluorophenyl)quinoline-4-carboxamide
CID 4589814
1-[3-chloro-4-(difluoromethoxy)phenyl]-3-(3-chlorophenyl)urea
CID 8002775
2-(3-bromophenyl)-N-(3,4-difluorophenyl)quinoline-4-carboxamide
CID 5102914
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide (CID 17372672) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(-c2cccc(Cl)c2)nc2ccccc12.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is XVANUNCGMWVCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl2F2N2O2/c24-14-5-3-4-13(10-14)20-12-17(16-6-1-2-7-19(16)29-20)22(30)28-15-8-9-21(18(25)11-15)31-23(26)27/h1-12,23H,(H,28,30).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 459.28 g/mol, XLogP of 7.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(3-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 17372672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).