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

C17H21N3O3 — CID 122182528

IUPACN'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide
SMILESO=C(CCCCCC(=O)NCc1ccc2ccccc2n1)NO
InChIInChI=1S/C17H21N3O3/c21-16(8-2-1-3-9-17(22)20-23)18-12-14-11-10-13-6-4-5-7-15(13)19-14/h4-7,10-11,23H,1-3,8-9,12H2,(H,18,21)(H,20,22)
InChIKeyVBUQXYDUPAHJAW-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.31
Rot. Bonds8

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

N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide (PubChem CID 122182528) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide
PubChem CID122182528
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide
SMILESO=C(CCCCCC(=O)NCc1ccc2ccccc2n1)NO
InChIInChI=1S/C17H21N3O3/c21-16(8-2-1-3-9-17(22)20-23)18-12-14-11-10-13-6-4-5-7-15(13)19-14/h4-7,10-11,23H,1-3,8-9,12H2,(H,18,21)(H,20,22)
InChIKeyVBUQXYDUPAHJAW-UHFFFAOYSA-N
XLogP2.31
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.31
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)heptanediamide?
The IUPAC name of N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide (CID 122182528) is N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide.
What is the SMILES notation for N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide?
The canonical SMILES for N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide is O=C(CCCCCC(=O)NCc1ccc2ccccc2n1)NO.
What is the InChIKey of N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide?
The InChIKey is VBUQXYDUPAHJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(8-2-1-3-9-17(22)20-23)18-12-14-11-10-13-6-4-5-7-15(13)19-14/h4-7,10-11,23H,1-3,8-9,12H2,(H,18,21)(H,20,22).
What are the key properties of N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide?
N'-hydroxy-N-(quinolin-2-ylmethyl)heptanediamide has a molecular weight of 315.37 g/mol, XLogP of 2.31, 8 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)heptanediamide is sourced from PubChem (CID 122182528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).