N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

C18H25N3O4 — CID 86581009

IUPACN-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C(CCCCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO
InChIInChI=1S/C18H25N3O4/c22-16-10-8-13-12-14(7-9-15(13)20-16)18(24)19-11-5-3-1-2-4-6-17(23)21-25/h7,9,12,25H,1-6,8,10-11H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyHOSCTMSEDXIJLQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.15
Rot. Bonds9

About N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide

N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 86581009) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID86581009
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C(CCCCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO
InChIInChI=1S/C18H25N3O4/c22-16-10-8-13-12-14(7-9-15(13)20-16)18(24)19-11-5-3-1-2-4-6-17(23)21-25/h7,9,12,25H,1-6,8,10-11H2,(H,19,24)(H,20,22)(H,21,23)
InChIKeyHOSCTMSEDXIJLQ-UHFFFAOYSA-N
XLogP2.15
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.15
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'}

Analyze N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide (CID 86581009) is N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is O=C(CCCCCCCNC(=O)c1ccc2c(c1)CCC(=O)N2)NO.
What is the InChIKey of N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is HOSCTMSEDXIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c22-16-10-8-13-12-14(7-9-15(13)20-16)18(24)19-11-5-3-1-2-4-6-17(23)21-25/h7,9,12,25H,1-6,8,10-11H2,(H,19,24)(H,20,22)(H,21,23).
What are the key properties of N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide?
N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.15, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(hydroxyamino)-8-oxooctyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 86581009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).