N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide

C23H24FN3O4 — CID 46834195

IUPACN-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
SMILESO=C(CCCCCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2ccccc21)NO
InChIInChI=1S/C23H24FN3O4/c24-17-11-9-16(10-12-17)14-25-23(30)19-15-27(13-5-1-2-8-21(28)26-31)20-7-4-3-6-18(20)22(19)29/h3-4,6-7,9-12,15,31H,1-2,5,8,13-14H2,(H,25,30)(H,26,28)
InChIKeyYOSVHBRYTZJUHY-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.14
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide (PubChem CID 46834195) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
PubChem CID46834195
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
SMILESO=C(CCCCCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2ccccc21)NO
InChIInChI=1S/C23H24FN3O4/c24-17-11-9-16(10-12-17)14-25-23(30)19-15-27(13-5-1-2-8-21(28)26-31)20-7-4-3-6-18(20)22(19)29/h3-4,6-7,9-12,15,31H,1-2,5,8,13-14H2,(H,25,30)(H,26,28)
InChIKeyYOSVHBRYTZJUHY-UHFFFAOYSA-N
XLogP3.14
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 46834468
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834191
1-[6-(hydroxyamino)-6-oxohexyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 46830417
1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
CID 131953863
N-(4-tert-butylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46830422
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
1-[2-(4-fluorophenyl)ethyl]-4-oxoquinoline-3-carboxylic acid
CID 171745595
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
N-(3,3-dimethyl-2-oxobutyl)-4-oxo-1-pentylquinoline-3-carboxamide
CID 71019902
4-(1-ethylindol-3-yl)-N-[(4-fluorophenyl)methyl]butanamide
CID 22522951
N-[(4-fluorophenyl)methyl]-2-(1-methylindol-3-yl)acetamide
CID 3632445
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46830727

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide (CID 46834195) is N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide is O=C(CCCCCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2ccccc21)NO.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is YOSVHBRYTZJUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c24-17-11-9-16(10-12-17)14-25-23(30)19-15-27(13-5-1-2-8-21(28)26-31)20-7-4-3-6-18(20)22(19)29/h3-4,6-7,9-12,15,31H,1-2,5,8,13-14H2,(H,25,30)(H,26,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 3.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 46834195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).