N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

C18H15ClN2O2 — CID 3257222

IUPACN-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H15ClN2O2/c19-13-7-5-12(6-8-13)9-10-20-18(23)15-11-17(22)21-16-4-2-1-3-14(15)16/h1-8,11H,9-10H2,(H,20,23)(H,21,22)
InChIKeyZRWNZENAMBUFTF-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.15
Rot. Bonds4

About N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 3257222) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
PubChem CID3257222
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C18H15ClN2O2/c19-13-7-5-12(6-8-13)9-10-20-18(23)15-11-17(22)21-16-4-2-1-3-14(15)16/h1-8,11H,9-10H2,(H,20,23)(H,21,22)
InChIKeyZRWNZENAMBUFTF-UHFFFAOYSA-N
XLogP3.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide (CID 3257222) is N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is ZRWNZENAMBUFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-13-7-5-12(6-8-13)9-10-20-18(23)15-11-17(22)21-16-4-2-1-3-14(15)16/h1-8,11H,9-10H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 3257222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).