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

C24H26FN3O5 — CID 46834468

IUPAC6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(CCCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C24H26FN3O5/c1-33-18-9-6-16(7-10-18)14-26-24(31)20-15-28(12-4-2-3-5-22(29)27-32)21-11-8-17(25)13-19(21)23(20)30/h6-11,13,15,32H,2-5,12,14H2,1H3,(H,26,31)(H,27,29)
InChIKeyKSMNMURZRNTSCF-UHFFFAOYSA-N
MW455.49 g/mol
LogP3.14
Rot. Bonds10

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

6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide (PubChem CID 46834468) has the molecular formula C24H26FN3O5 and a molecular weight of 455.49 g/mol. Its IUPAC name is 6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
PubChem CID46834468
Molecular FormulaC24H26FN3O5
Molecular Weight455.49 g/mol
Exact Mass455.19
IUPAC Name6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(CCCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1
InChIInChI=1S/C24H26FN3O5/c1-33-18-9-6-16(7-10-18)14-26-24(31)20-15-28(12-4-2-3-5-22(29)27-32)21-11-8-17(25)13-19(21)23(20)30/h6-11,13,15,32H,2-5,12,14H2,1H3,(H,26,31)(H,27,29)
InChIKeyKSMNMURZRNTSCF-UHFFFAOYSA-N
XLogP3.14
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.49
LogP ≤ 53.14
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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Related Compounds

N-[(4-fluorophenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834195
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834191
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466
N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide
CID 46831614
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
6-ethoxy-N-[(4-methoxyphenyl)methyl]-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133854
N-(2,5-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850934
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001
2-ethyl-N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-oxoisoquinoline-4-carboxamide
CID 22422707
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide (CID 46834468) is 6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide is COc1ccc(CNC(=O)c2cn(CCCCCC(=O)NO)c3ccc(F)cc3c2=O)cc1.
What is the InChIKey of 6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is KSMNMURZRNTSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O5/c1-33-18-9-6-16(7-10-18)14-26-24(31)20-15-28(12-4-2-3-5-22(29)27-32)21-11-8-17(25)13-19(21)23(20)30/h6-11,13,15,32H,2-5,12,14H2,1H3,(H,26,31)(H,27,29).
What are the key properties of 6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide?
6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 3.14, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 46834468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).