2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide

C24H18Cl2N2O2 — CID 4611145

IUPAC2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C24H18Cl2N2O2/c1-2-30-23-10-6-5-9-21(23)28-24(29)17-14-22(15-11-12-18(25)19(26)13-15)27-20-8-4-3-7-16(17)20/h3-14H,2H2,1H3,(H,28,29)
InChIKeyCYWXAOQVTUAPLS-UHFFFAOYSA-N
MW437.33 g/mol
LogP6.86
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide

2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 4611145) has the molecular formula C24H18Cl2N2O2 and a molecular weight of 437.33 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID4611145
Molecular FormulaC24H18Cl2N2O2
Molecular Weight437.33 g/mol
Exact Mass436.07
IUPAC Name2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12
InChIInChI=1S/C24H18Cl2N2O2/c1-2-30-23-10-6-5-9-21(23)28-24(29)17-14-22(15-11-12-18(25)19(26)13-15)27-20-8-4-3-7-16(17)20/h3-14H,2H2,1H3,(H,28,29)
InChIKeyCYWXAOQVTUAPLS-UHFFFAOYSA-N
XLogP6.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4152465
N-(2-ethoxyphenyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 2353296
N-(2-ethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 3391261
2-(2,4-dimethylphenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 5239510
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3649172
2-(4-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 4074181
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 2165739
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide (CID 4611145) is 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CYWXAOQVTUAPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O2/c1-2-30-23-10-6-5-9-21(23)28-24(29)17-14-22(15-11-12-18(25)19(26)13-15)27-20-8-4-3-7-16(17)20/h3-14H,2H2,1H3,(H,28,29).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 437.33 g/mol, XLogP of 6.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4611145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).