N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

C24H18ClFN2O3 — CID 1022743

IUPACN-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H18ClFN2O3/c1-30-22-10-7-14(11-23(22)31-2)21-13-17(16-5-3-4-6-20(16)28-21)24(29)27-15-8-9-19(26)18(25)12-15/h3-13H,1-2H3,(H,27,29)
InChIKeyNUHQCVNXLLZOFW-UHFFFAOYSA-N
MW436.87 g/mol
LogP5.96
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide

N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (PubChem CID 1022743) has the molecular formula C24H18ClFN2O3 and a molecular weight of 436.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
PubChem CID1022743
Molecular FormulaC24H18ClFN2O3
Molecular Weight436.87 g/mol
Exact Mass436.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1OC
InChIInChI=1S/C24H18ClFN2O3/c1-30-22-10-7-14(11-23(22)31-2)21-13-17(16-5-3-4-6-20(16)28-21)24(29)27-15-8-9-19(26)18(25)12-15/h3-13H,1-2H3,(H,27,29)
InChIKeyNUHQCVNXLLZOFW-UHFFFAOYSA-N
XLogP5.96
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.87
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)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

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide (CID 1022743) is N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is NUHQCVNXLLZOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O3/c1-30-22-10-7-14(11-23(22)31-2)21-13-17(16-5-3-4-6-20(16)28-21)24(29)27-15-8-9-19(26)18(25)12-15/h3-13H,1-2H3,(H,27,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 436.87 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 1022743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).