1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide

C23H26N2O4 — CID 54686346

IUPAC1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccc(OCCC)cc2)c(O)c2ccccc21
InChIInChI=1S/C23H26N2O4/c1-3-5-14-25-19-9-7-6-8-18(19)21(26)20(23(25)28)22(27)24-16-10-12-17(13-11-16)29-15-4-2/h6-13,26H,3-5,14-15H2,1-2H3,(H,24,27)
InChIKeyFRJDLHUUGOCTIZ-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.55
Rot. Bonds8

About 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide

1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide (PubChem CID 54686346) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
PubChem CID54686346
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccc(OCCC)cc2)c(O)c2ccccc21
InChIInChI=1S/C23H26N2O4/c1-3-5-14-25-19-9-7-6-8-18(19)21(26)20(23(25)28)22(27)24-16-10-12-17(13-11-16)29-15-4-2/h6-13,26H,3-5,14-15H2,1-2H3,(H,24,27)
InChIKeyFRJDLHUUGOCTIZ-UHFFFAOYSA-N
XLogP4.55
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-2-oxo-N-(4-propoxyphenyl)-1-propylquinoline-3-carboxamide
CID 54696047
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54677084
propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54683102
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
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
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide (CID 54686346) is 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)Nc2ccc(OCCC)cc2)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide?
The InChIKey is FRJDLHUUGOCTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-3-5-14-25-19-9-7-6-8-18(19)21(26)20(23(25)28)22(27)24-16-10-12-17(13-11-16)29-15-4-2/h6-13,26H,3-5,14-15H2,1-2H3,(H,24,27).
What are the key properties of 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide?
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide is sourced from PubChem (CID 54686346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).