N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide

C21H20FN3O4 — CID 131953858

IUPACN-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide
SMILESO=C(CCCCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21)NO
InChIInChI=1S/C21H20FN3O4/c22-14-8-10-15(11-9-14)23-21(28)17-13-25(12-4-3-7-19(26)24-29)18-6-2-1-5-16(18)20(17)27/h1-2,5-6,8-11,13,29H,3-4,7,12H2,(H,23,28)(H,24,26)
InChIKeyDMEILGVBUYYZLF-UHFFFAOYSA-N
MW397.41 g/mol
LogP3.07
Rot. Bonds7

About N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide

N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide (PubChem CID 131953858) has the molecular formula C21H20FN3O4 and a molecular weight of 397.41 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide
PubChem CID131953858
Molecular FormulaC21H20FN3O4
Molecular Weight397.41 g/mol
Exact Mass397.14
IUPAC NameN-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide
SMILESO=C(CCCCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21)NO
InChIInChI=1S/C21H20FN3O4/c22-14-8-10-15(11-9-14)23-21(28)17-13-25(12-4-3-7-19(26)24-29)18-6-2-1-5-16(18)20(17)27/h1-2,5-6,8-11,13,29H,3-4,7,12H2,(H,23,28)(H,24,26)
InChIKeyDMEILGVBUYYZLF-UHFFFAOYSA-N
XLogP3.07
TPSA100.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 53.07
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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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide (CID 131953858) is N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide is O=C(CCCCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21)NO.
What is the InChIKey of N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide?
The InChIKey is DMEILGVBUYYZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O4/c22-14-8-10-15(11-9-14)23-21(28)17-13-25(12-4-3-7-19(26)24-29)18-6-2-1-5-16(18)20(17)27/h1-2,5-6,8-11,13,29H,3-4,7,12H2,(H,23,28)(H,24,26).
What are the key properties of N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide?
N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide has a molecular weight of 397.41 g/mol, XLogP of 3.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 131953858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).