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

C20H18N2O5 — CID 54688157

IUPACethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C20H18N2O5/c1-3-27-20(26)12-8-4-6-10-14(12)21-18(24)16-17(23)13-9-5-7-11-15(13)22(2)19(16)25/h4-11,23H,3H2,1-2H3,(H,21,24)
InChIKeyLYQDZUCRJZDDCP-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.67
Rot. Bonds4

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

ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate (PubChem CID 54688157) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
PubChem CID54688157
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Nameethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C20H18N2O5/c1-3-27-20(26)12-8-4-6-10-14(12)21-18(24)16-17(23)13-9-5-7-11-15(13)22(2)19(16)25/h4-11,23H,3H2,1-2H3,(H,21,24)
InChIKeyLYQDZUCRJZDDCP-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-hydroxy-1-methyl-2-oxo-N-(2-sulfamoylphenyl)quinoline-3-carboxamide
CID 54676685
4-hydroxy-1-methyl-2-oxo-N-[2-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 54676662
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54677084
2-[[4-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)-4-oxobut-2-en-2-yl]amino]benzoic acid
CID 54704809
ethyl 2-[(6-hydroxy-2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoate
CID 15947078
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
ethyl 2-[(1-methyl-6-oxopyridine-3-carbonyl)amino]benzoate
CID 110693143
N-[2-(ethylamino)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 56684063
N-(2-ethylphenyl)-4-hydroxy-2-oxo-1-phenylquinoline-3-carboxamide
CID 54731601

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate (CID 54688157) is ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)c1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate?
The InChIKey is LYQDZUCRJZDDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c1-3-27-20(26)12-8-4-6-10-14(12)21-18(24)16-17(23)13-9-5-7-11-15(13)22(2)19(16)25/h4-11,23H,3H2,1-2H3,(H,21,24).
What are the key properties of ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate?
ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate has a molecular weight of 366.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-hydroxy-1-methyl-2-oxoquinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 54688157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).