6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide

C20H19FN4O4 — CID 131953879

IUPAC6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
SMILESO=C(CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2cc(F)ccc21)NO
InChIInChI=1S/C20H19FN4O4/c21-13-4-5-17-15(11-13)19(27)16(20(28)23-14-6-8-22-9-7-14)12-25(17)10-2-1-3-18(26)24-29/h4-9,11-12,29H,1-3,10H2,(H,24,26)(H,22,23,28)
InChIKeyMFRUOLINQXNQOV-UHFFFAOYSA-N
MW398.39 g/mol
LogP2.46
Rot. Bonds7

About 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide

6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide (PubChem CID 131953879) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
PubChem CID131953879
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide
SMILESO=C(CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2cc(F)ccc21)NO
InChIInChI=1S/C20H19FN4O4/c21-13-4-5-17-15(11-13)19(27)16(20(28)23-14-6-8-22-9-7-14)12-25(17)10-2-1-3-18(26)24-29/h4-9,11-12,29H,1-3,10H2,(H,24,26)(H,22,23,28)
InChIKeyMFRUOLINQXNQOV-UHFFFAOYSA-N
XLogP2.46
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.46
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]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
The IUPAC name of 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide (CID 131953879) is 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide.
What is the SMILES notation for 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
The canonical SMILES for 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide is O=C(CCCCn1cc(C(=O)Nc2ccncc2)c(=O)c2cc(F)ccc21)NO.
What is the InChIKey of 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
The InChIKey is MFRUOLINQXNQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4/c21-13-4-5-17-15(11-13)19(27)16(20(28)23-14-6-8-22-9-7-14)12-25(17)10-2-1-3-18(26)24-29/h4-9,11-12,29H,1-3,10H2,(H,24,26)(H,22,23,28).
What are the key properties of 6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide?
6-fluoro-1-[5-(hydroxyamino)-5-oxopentyl]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 2.46, 7 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]-4-oxo-N-pyridin-4-ylquinoline-3-carboxamide is sourced from PubChem (CID 131953879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).