N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

C26H23ClN2O2 — CID 4292437

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H23ClN2O2/c1-2-31-21-13-9-19(10-14-21)25-17-23(22-5-3-4-6-24(22)29-25)26(30)28-16-15-18-7-11-20(27)12-8-18/h3-14,17H,2,15-16H2,1H3,(H,28,30)
InChIKeyCXZYCQMTQJXBDO-UHFFFAOYSA-N
MW430.94 g/mol
LogP5.93
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 4292437) has the molecular formula C26H23ClN2O2 and a molecular weight of 430.94 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID4292437
Molecular FormulaC26H23ClN2O2
Molecular Weight430.94 g/mol
Exact Mass430.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1
InChIInChI=1S/C26H23ClN2O2/c1-2-31-21-13-9-19(10-14-21)25-17-23(22-5-3-4-6-24(22)29-25)26(30)28-16-15-18-7-11-20(27)12-8-18/h3-14,17H,2,15-16H2,1H3,(H,28,30)
InChIKeyCXZYCQMTQJXBDO-UHFFFAOYSA-N
XLogP5.93
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.94
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 4292437) is N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is CXZYCQMTQJXBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O2/c1-2-31-21-13-9-19(10-14-21)25-17-23(22-5-3-4-6-24(22)29-25)26(30)28-16-15-18-7-11-20(27)12-8-18/h3-14,17H,2,15-16H2,1H3,(H,28,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 430.94 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4292437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).