N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C16H21N3O4 — CID 86581008

IUPACN-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C(CCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO
InChIInChI=1S/C16H21N3O4/c20-14-8-6-11-10-12(5-7-13(11)18-14)16(22)17-9-3-1-2-4-15(21)19-23/h5,7,10,23H,1-4,6,8-9H2,(H,17,22)(H,18,20)(H,19,21)
InChIKeyAFOOGFAVLJWGCP-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.37
Rot. Bonds7

About N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 86581008) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID86581008
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C(CCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO
InChIInChI=1S/C16H21N3O4/c20-14-8-6-11-10-12(5-7-13(11)18-14)16(22)17-9-3-1-2-4-15(21)19-23/h5,7,10,23H,1-4,6,8-9H2,(H,17,22)(H,18,20)(H,19,21)
InChIKeyAFOOGFAVLJWGCP-UHFFFAOYSA-N
XLogP1.37
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 86581008) is N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C(CCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is AFOOGFAVLJWGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c20-14-8-6-11-10-12(5-7-13(11)18-14)16(22)17-9-3-1-2-4-15(21)19-23/h5,7,10,23H,1-4,6,8-9H2,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.37, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 86581008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).