methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate

C20H18N2O5 — CID 54679619

IUPACmethyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H18N2O5/c1-3-22-15-7-5-4-6-14(15)17(23)16(19(22)25)18(24)21-13-10-8-12(9-11-13)20(26)27-2/h4-11,23H,3H2,1-2H3,(H,21,24)
InChIKeyYYXDFIGVAHFAKG-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.77
Rot. Bonds4

About methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate

methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate (PubChem CID 54679619) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
PubChem CID54679619
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Namemethyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
SMILESCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H18N2O5/c1-3-22-15-7-5-4-6-14(15)17(23)16(19(22)25)18(24)21-13-10-8-12(9-11-13)20(26)27-2/h4-11,23H,3H2,1-2H3,(H,21,24)
InChIKeyYYXDFIGVAHFAKG-UHFFFAOYSA-N
XLogP2.77
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54683102
1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678823
2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate
CID 54697692
4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
N-(4-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54736636
1-(2,2-dimethylpropyl)-4-hydroxy-N-(4-iodophenyl)-2-oxoquinoline-3-carboxamide
CID 54693217
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate (CID 54679619) is methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate is CCn1c(=O)c(C(=O)Nc2ccc(C(=O)OC)cc2)c(O)c2ccccc21.
What is the InChIKey of methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate?
The InChIKey is YYXDFIGVAHFAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-3-22-15-7-5-4-6-14(15)17(23)16(19(22)25)18(24)21-13-10-8-12(9-11-13)20(26)27-2/h4-11,23H,3H2,1-2H3,(H,21,24).
What are the key properties of methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate?
methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate has a molecular weight of 366.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 54679619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).