N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide

C20H29N3O4 — CID 86581294

IUPACN'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide
SMILESCN1C(=O)CC(C)(C)c2cc(NC(=O)CCCCCCC(=O)NO)ccc21
InChIInChI=1S/C20H29N3O4/c1-20(2)13-19(26)23(3)16-11-10-14(12-15(16)20)21-17(24)8-6-4-5-7-9-18(25)22-27/h10-12,27H,4-9,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKCARGDLUZPOPSG-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.12
Rot. Bonds8

About N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide

N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide (PubChem CID 86581294) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide.

Molecular Properties

Compound NameN'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide
PubChem CID86581294
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide
SMILESCN1C(=O)CC(C)(C)c2cc(NC(=O)CCCCCCC(=O)NO)ccc21
InChIInChI=1S/C20H29N3O4/c1-20(2)13-19(26)23(3)16-11-10-14(12-15(16)20)21-17(24)8-6-4-5-7-9-18(25)22-27/h10-12,27H,4-9,13H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKCARGDLUZPOPSG-UHFFFAOYSA-N
XLogP3.12
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.12
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-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide?
The IUPAC name of N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide (CID 86581294) is N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide.
What is the SMILES notation for N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide?
The canonical SMILES for N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide is CN1C(=O)CC(C)(C)c2cc(NC(=O)CCCCCCC(=O)NO)ccc21.
What is the InChIKey of N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide?
The InChIKey is KCARGDLUZPOPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-20(2)13-19(26)23(3)16-11-10-14(12-15(16)20)21-17(24)8-6-4-5-7-9-18(25)22-27/h10-12,27H,4-9,13H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide?
N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide has a molecular weight of 375.47 g/mol, XLogP of 3.12, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(1,4,4-trimethyl-2-oxo-3H-quinolin-6-yl)octanediamide is sourced from PubChem (CID 86581294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).