propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate

C24H26N2O5 — CID 54683102

IUPACpropyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
SMILESCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21
InChIInChI=1S/C24H26N2O5/c1-3-5-14-26-19-9-7-6-8-18(19)21(27)20(23(26)29)22(28)25-17-12-10-16(11-13-17)24(30)31-15-4-2/h6-13,27H,3-5,14-15H2,1-2H3,(H,25,28)
InChIKeyGZKCRVUTBBOLCK-UHFFFAOYSA-N
MW422.48 g/mol
LogP4.33
Rot. Bonds8

About propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate

propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate (PubChem CID 54683102) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
PubChem CID54683102
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namepropyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
SMILESCCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21
InChIInChI=1S/C24H26N2O5/c1-3-5-14-26-19-9-7-6-8-18(19)21(27)20(23(26)29)22(28)25-17-12-10-16(11-13-17)24(30)31-15-4-2/h6-13,27H,3-5,14-15H2,1-2H3,(H,25,28)
InChIKeyGZKCRVUTBBOLCK-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

Analyze propyl 4-[(1-butyl-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
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346
2-(diethylamino)ethyl 4-[(4-hydroxy-2-oxo-1-propylquinoline-3-carbonyl)amino]benzoate
CID 54697692
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54679619
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54676325
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate (CID 54683102) is propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate is CCCCn1c(=O)c(C(=O)Nc2ccc(C(=O)OCCC)cc2)c(O)c2ccccc21.
What is the InChIKey of propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate?
The InChIKey is GZKCRVUTBBOLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-3-5-14-26-19-9-7-6-8-18(19)21(27)20(23(26)29)22(28)25-17-12-10-16(11-13-17)24(30)31-15-4-2/h6-13,27H,3-5,14-15H2,1-2H3,(H,25,28).
What are the key properties of propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate?
propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-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 propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 54683102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).