ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate

C24H26N2O5 — CID 54676600

IUPACethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
SMILESCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21
InChIInChI=1S/C24H26N2O5/c1-3-5-8-15-26-19-10-7-6-9-18(19)21(27)20(23(26)29)22(28)25-17-13-11-16(12-14-17)24(30)31-4-2/h6-7,9-14,27H,3-5,8,15H2,1-2H3,(H,25,28)
InChIKeyFVHLUDQNADQGOY-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.33
Rot. Bonds8

About ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate

ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate (PubChem CID 54676600) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
PubChem CID54676600
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Nameethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
SMILESCCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21
InChIInChI=1S/C24H26N2O5/c1-3-5-8-15-26-19-10-7-6-9-18(19)21(27)20(23(26)29)22(28)25-17-13-11-16(12-14-17)24(30)31-4-2/h6-7,9-14,27H,3-5,8,15H2,1-2H3,(H,25,28)
InChIKeyFVHLUDQNADQGOY-UHFFFAOYSA-N
XLogP4.33
TPSA97.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54683102
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate
CID 54697692
methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54679619
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
2-butyl-4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid
CID 131984445

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate (CID 54676600) is ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate is CCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCC)cc2)c(O)c2ccccc21.
What is the InChIKey of ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate?
The InChIKey is FVHLUDQNADQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-3-5-8-15-26-19-10-7-6-9-18(19)21(27)20(23(26)29)22(28)25-17-13-11-16(12-14-17)24(30)31-4-2/h6-7,9-14,27H,3-5,8,15H2,1-2H3,(H,25,28).
What are the key properties of ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate?
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate has a molecular weight of 422.48 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 54676600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).