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

C18H15ClN2O2 — CID 949688

IUPAC2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-13-9-7-12(8-10-13)20-18(22)15-11-17(19)21-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,20,22)
InChIKeyYPZOPXUUSFYIKM-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.54
Rot. Bonds4

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

2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide (PubChem CID 949688) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide
PubChem CID949688
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1
InChIInChI=1S/C18H15ClN2O2/c1-2-23-13-9-7-12(8-10-13)20-18(22)15-11-17(19)21-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,20,22)
InChIKeyYPZOPXUUSFYIKM-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide (CID 949688) is 2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide is CCOc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
The InChIKey is YPZOPXUUSFYIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-23-13-9-7-12(8-10-13)20-18(22)15-11-17(19)21-16-6-4-3-5-14(15)16/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of 2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide?
2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 949688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).