N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

C23H18ClN3O2 — CID 2165739

IUPACN-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ncccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-2-29-16-11-9-15(10-12-16)21-14-18(17-6-3-4-8-20(17)26-21)23(28)27-22-19(24)7-5-13-25-22/h3-14H,2H2,1H3,(H,25,27,28)
InChIKeyMDVBMIHVHOGEFQ-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.60
Rot. Bonds5

About N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 2165739) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID2165739
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC NameN-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)Nc3ncccc3Cl)c3ccccc3n2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-2-29-16-11-9-15(10-12-16)21-14-18(17-6-3-4-8-20(17)26-21)23(28)27-22-19(24)7-5-13-25-22/h3-14H,2H2,1H3,(H,25,27,28)
InChIKeyMDVBMIHVHOGEFQ-UHFFFAOYSA-N
XLogP5.60
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458
2-(3,4-dichlorophenyl)-N-(2-ethoxyphenyl)quinoline-4-carboxamide
CID 4611145
N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 46098242
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(3-ethoxyphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 1011517
2-(4-ethoxyphenyl)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4649173
N-(2,5-diethoxyphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
CID 50798247
2-(4-ethoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237208

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 2165739) is N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)Nc3ncccc3Cl)c3ccccc3n2)cc1.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is MDVBMIHVHOGEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-2-29-16-11-9-15(10-12-16)21-14-18(17-6-3-4-8-20(17)26-21)23(28)27-22-19(24)7-5-13-25-22/h3-14H,2H2,1H3,(H,25,27,28).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2165739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).