N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide

C16H19N3O3 — CID 122182527

IUPACN'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide
SMILESO=C(CCCCC(=O)NCc1ccc2ccccc2n1)NO
InChIInChI=1S/C16H19N3O3/c20-15(7-3-4-8-16(21)19-22)17-11-13-10-9-12-5-1-2-6-14(12)18-13/h1-2,5-6,9-10,22H,3-4,7-8,11H2,(H,17,20)(H,19,21)
InChIKeyLSQMQBJWCBTWQA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.92
Rot. Bonds7

About N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide

N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide (PubChem CID 122182527) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide
PubChem CID122182527
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide
SMILESO=C(CCCCC(=O)NCc1ccc2ccccc2n1)NO
InChIInChI=1S/C16H19N3O3/c20-15(7-3-4-8-16(21)19-22)17-11-13-10-9-12-5-1-2-6-14(12)18-13/h1-2,5-6,9-10,22H,3-4,7-8,11H2,(H,17,20)(H,19,21)
InChIKeyLSQMQBJWCBTWQA-UHFFFAOYSA-N
XLogP1.92
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.92
H-Bond Donors ≤ 53
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'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide?
The IUPAC name of N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide (CID 122182527) is N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide.
What is the SMILES notation for N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide?
The canonical SMILES for N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide is O=C(CCCCC(=O)NCc1ccc2ccccc2n1)NO.
What is the InChIKey of N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide?
The InChIKey is LSQMQBJWCBTWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15(7-3-4-8-16(21)19-22)17-11-13-10-9-12-5-1-2-6-14(12)18-13/h1-2,5-6,9-10,22H,3-4,7-8,11H2,(H,17,20)(H,19,21).
What are the key properties of N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide?
N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide has a molecular weight of 301.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(quinolin-2-ylmethyl)hexanediamide is sourced from PubChem (CID 122182527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).