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

C20H19ClN2O4 — CID 70200805

IUPAC5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)c(C)ccc2[nH]c1=O)c1ccc(OC)cc1
InChIInChI=1S/C20H19ClN2O4/c1-4-23(12-6-8-13(27-3)9-7-12)20(26)16-18(24)15-14(22-19(16)25)10-5-11(2)17(15)21/h5-10H,4H2,1-3H3,(H2,22,24,25)
InChIKeyYNEJIVDVBQVWQN-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.87
Rot. Bonds4

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

5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 70200805) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID70200805
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)c(C)ccc2[nH]c1=O)c1ccc(OC)cc1
InChIInChI=1S/C20H19ClN2O4/c1-4-23(12-6-8-13(27-3)9-7-12)20(26)16-18(24)15-14(22-19(16)25)10-5-11(2)17(15)21/h5-10H,4H2,1-3H3,(H2,22,24,25)
InChIKeyYNEJIVDVBQVWQN-UHFFFAOYSA-N
XLogP3.87
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 70200805) is 5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(Cl)c(C)ccc2[nH]c1=O)c1ccc(OC)cc1.
What is the InChIKey of 5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is YNEJIVDVBQVWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c1-4-23(12-6-8-13(27-3)9-7-12)20(26)16-18(24)15-14(22-19(16)25)10-5-11(2)17(15)21/h5-10H,4H2,1-3H3,(H2,22,24,25).
What are the key properties of 5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide?
5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 70200805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).