N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide

C22H15Cl2N3O — CID 25223765

IUPACN-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide
SMILESO=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H15Cl2N3O/c23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14/h1-13H,(H2,25,26,27,28)
InChIKeyZVJJVYNSSWTWIU-UHFFFAOYSA-N
MW408.29 g/mol
LogP6.54
Rot. Bonds4

About N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide

N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide (PubChem CID 25223765) has the molecular formula C22H15Cl2N3O and a molecular weight of 408.29 g/mol. Its IUPAC name is N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide
PubChem CID25223765
Molecular FormulaC22H15Cl2N3O
Molecular Weight408.29 g/mol
Exact Mass407.06
IUPAC NameN-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide
SMILESO=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C22H15Cl2N3O/c23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14/h1-13H,(H2,25,26,27,28)
InChIKeyZVJJVYNSSWTWIU-UHFFFAOYSA-N
XLogP6.54
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.29
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dichloroanilino)quinolin-4-yl]cyclopentanecarboxamide;N-[2-(4-methoxyanilino)quinolin-4-yl]cyclopentanecarboxamide
CID 66619206
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
N-(3-benzamidophenazin-2-yl)benzamide
CID 3547793
N-[2-(5-chloro-2-fluorophenyl)quinolin-4-yl]pyridine-4-carboxamide
CID 70660095
N-(3-benzamido-4-chlorophenyl)naphthalene-1-carboxamide
CID 1104039
6-(3,4-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849857
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
N-[2-(2,3-dichloroanilino)quinolin-4-yl]cyclobutanecarboxamide
CID 66619080
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
N-acridin-9-ylbenzamide
CID 40532924
2-(4-iodoanilino)quinoline-4-carboxylic acid
CID 43154791

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide?
The IUPAC name of N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide (CID 25223765) is N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide.
What is the SMILES notation for N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide?
The canonical SMILES for N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide is O=C(Nc1cc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide?
The InChIKey is ZVJJVYNSSWTWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O/c23-17-11-10-15(12-18(17)24)25-21-13-20(16-8-4-5-9-19(16)26-21)27-22(28)14-6-2-1-3-7-14/h1-13H,(H2,25,26,27,28).
What are the key properties of N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide?
N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide has a molecular weight of 408.29 g/mol, XLogP of 6.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichloroanilino)quinolin-4-yl]benzamide is sourced from PubChem (CID 25223765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).