5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide

C19H17ClN2O3 — CID 66586923

IUPAC5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)c(C)ccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O3/c1-3-22(12-7-5-4-6-8-12)19(25)15-17(23)14-13(21-18(15)24)10-9-11(2)16(14)20/h4-10H,3H2,1-2H3,(H2,21,23,24)
InChIKeyWMDAEWFVEWHWGF-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.86
Rot. Bonds3

About 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide

5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide (PubChem CID 66586923) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
PubChem CID66586923
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)c(C)ccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O3/c1-3-22(12-7-5-4-6-8-12)19(25)15-17(23)14-13(21-18(15)24)10-9-11(2)16(14)20/h4-10H,3H2,1-2H3,(H2,21,23,24)
InChIKeyWMDAEWFVEWHWGF-UHFFFAOYSA-N
XLogP3.86
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide (CID 66586923) is 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(Cl)c(C)ccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The InChIKey is WMDAEWFVEWHWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-3-22(12-7-5-4-6-8-12)19(25)15-17(23)14-13(21-18(15)24)10-9-11(2)16(14)20/h4-10H,3H2,1-2H3,(H2,21,23,24).
What are the key properties of 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66586923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).