6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide

C23H24FN3O5 — CID 131953877

IUPAC6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C23H24FN3O5/c1-32-17-8-5-15(6-9-17)13-25-23(30)19-14-27(11-3-2-4-21(28)26-31)20-10-7-16(24)12-18(20)22(19)29/h5-10,12,14,31H,2-4,11,13H2,1H3,(H,25,30)(H,26,28)
InChIKeyJLWHDPXETMJCSP-UHFFFAOYSA-N
MW441.46 g/mol
LogP2.75
Rot. Bonds9

About 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide

6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide (PubChem CID 131953877) has the molecular formula C23H24FN3O5 and a molecular weight of 441.46 g/mol. Its IUPAC name is 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
PubChem CID131953877
Molecular FormulaC23H24FN3O5
Molecular Weight441.46 g/mol
Exact Mass441.17
IUPAC Name6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C23H24FN3O5/c1-32-17-8-5-15(6-9-17)13-25-23(30)19-14-27(11-3-2-4-21(28)26-31)20-10-7-16(24)12-18(20)22(19)29/h5-10,12,14,31H,2-4,11,13H2,1H3,(H,25,30)(H,26,28)
InChIKeyJLWHDPXETMJCSP-UHFFFAOYSA-N
XLogP2.75
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.46
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide (CID 131953877) is 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide is COc1ccc(CNC(=O)c2cn(CCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1.
What is the InChIKey of 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is JLWHDPXETMJCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O5/c1-32-17-8-5-15(6-9-17)13-25-23(30)19-14-27(11-3-2-4-21(28)26-31)20-10-7-16(24)12-18(20)22(19)29/h5-10,12,14,31H,2-4,11,13H2,1H3,(H,25,30)(H,26,28).
What are the key properties of 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 441.46 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 131953877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).