N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide

C17H21N3O4 — CID 86581151

IUPACN-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCCCC(=O)NO)ccc2n1
InChIInChI=1S/C17H21N3O4/c1-24-16-9-7-12-11-13(6-8-14(12)19-16)17(22)18-10-4-2-3-5-15(21)20-23/h6-9,11,23H,2-5,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyIZGSOOPUZLNVCT-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.04
Rot. Bonds8

About N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide

N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide (PubChem CID 86581151) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide
PubChem CID86581151
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide
SMILESCOc1ccc2cc(C(=O)NCCCCCC(=O)NO)ccc2n1
InChIInChI=1S/C17H21N3O4/c1-24-16-9-7-12-11-13(6-8-14(12)19-16)17(22)18-10-4-2-3-5-15(21)20-23/h6-9,11,23H,2-5,10H2,1H3,(H,18,22)(H,20,21)
InChIKeyIZGSOOPUZLNVCT-UHFFFAOYSA-N
XLogP2.04
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.04
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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Related Compounds

N-[7-(hydroxyamino)-7-oxoheptyl]-4-(4-methoxy-N-(4-methoxyphenyl)anilino)benzamide
CID 53340782
N-[7-(hydroxyamino)-7-oxoheptyl]-4-(methylamino)benzamide
CID 122548362
4-(dimethylamino)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 3811
4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide
CID 165147958
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
4-(4-chlorophenyl)-N-[6-(hydroxyamino)-6-oxohexyl]benzamide
CID 10133172
N-[6-(hydroxyamino)-6-oxohexyl]-4-piperidin-1-ylbenzamide
CID 59561797
N-octylquinoline-6-carboxamide
CID 68863650
methyl 6-(1H-indazole-6-carbonylamino)hexanoate
CID 43423425
7-[(3-methoxy-4-methylbenzoyl)amino]heptanoic acid
CID 24701058
6-[(5,6,7-trimethoxynaphthalene-2-carbonyl)amino]hexanoic acid
CID 110181550
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide?
The IUPAC name of N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide (CID 86581151) is N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide.
What is the SMILES notation for N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide?
The canonical SMILES for N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide is COc1ccc2cc(C(=O)NCCCCCC(=O)NO)ccc2n1.
What is the InChIKey of N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide?
The InChIKey is IZGSOOPUZLNVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-24-16-9-7-12-11-13(6-8-14(12)19-16)17(22)18-10-4-2-3-5-15(21)20-23/h6-9,11,23H,2-5,10H2,1H3,(H,18,22)(H,20,21).
What are the key properties of N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide?
N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.04, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxyamino)-6-oxohexyl]-2-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 86581151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).