5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide

C20H19ClN2O3 — CID 70122373

IUPAC5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccc(C)cc1
InChIInChI=1S/C20H19ClN2O3/c1-4-23(13-10-8-12(2)9-11-13)20(26)17-18(24)16-14(21)6-5-7-15(16)22(3)19(17)25/h5-11,24H,4H2,1-3H3
InChIKeyMKYZZOVYQTWYOD-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.87
Rot. Bonds3

About 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide

5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide (PubChem CID 70122373) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
PubChem CID70122373
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccc(C)cc1
InChIInChI=1S/C20H19ClN2O3/c1-4-23(13-10-8-12(2)9-11-13)20(26)17-18(24)16-14(21)6-5-7-15(16)22(3)19(17)25/h5-11,24H,4H2,1-3H3
InChIKeyMKYZZOVYQTWYOD-UHFFFAOYSA-N
XLogP3.87
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide (CID 70122373) is 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccc(C)cc1.
What is the InChIKey of 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is MKYZZOVYQTWYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-4-23(13-10-8-12(2)9-11-13)20(26)17-18(24)16-14(21)6-5-7-15(16)22(3)19(17)25/h5-11,24H,4H2,1-3H3.
What are the key properties of 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide?
5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-4-hydroxy-1-methyl-N-(4-methylphenyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 70122373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).