N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C17H23N3O4 — CID 86581004

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C(CCCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO
InChIInChI=1S/C17H23N3O4/c21-15-9-7-12-11-13(6-8-14(12)19-15)17(23)18-10-4-2-1-3-5-16(22)20-24/h6,8,11,24H,1-5,7,9-10H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyITSLNGBJYKFUFZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.76
Rot. Bonds8

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 86581004) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID86581004
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C(CCCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO
InChIInChI=1S/C17H23N3O4/c21-15-9-7-12-11-13(6-8-14(12)19-15)17(23)18-10-4-2-1-3-5-16(22)20-24/h6,8,11,24H,1-5,7,9-10H2,(H,18,23)(H,19,21)(H,20,22)
InChIKeyITSLNGBJYKFUFZ-UHFFFAOYSA-N
XLogP1.76
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.76
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-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 86581004) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C(CCCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is ITSLNGBJYKFUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-15-9-7-12-11-13(6-8-14(12)19-15)17(23)18-10-4-2-1-3-5-16(22)20-24/h6,8,11,24H,1-5,7,9-10H2,(H,18,23)(H,19,21)(H,20,22).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.76, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 86581004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).