N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide

C13H14N2O2 — CID 82574396

IUPACN-hydroxy-2,4,8-trimethylquinoline-6-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NO)cc(C)c2n1
InChIInChI=1S/C13H14N2O2/c1-7-4-9(3)14-12-8(2)5-10(6-11(7)12)13(16)15-17/h4-6,17H,1-3H3,(H,15,16)
InChIKeyAFUMTYQAIOQZGY-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.28
Rot. Bonds1

About N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide

N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide (PubChem CID 82574396) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2,4,8-trimethylquinoline-6-carboxamide
PubChem CID82574396
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-hydroxy-2,4,8-trimethylquinoline-6-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NO)cc(C)c2n1
InChIInChI=1S/C13H14N2O2/c1-7-4-9(3)14-12-8(2)5-10(6-11(7)12)13(16)15-17/h4-6,17H,1-3H3,(H,15,16)
InChIKeyAFUMTYQAIOQZGY-UHFFFAOYSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-2,4,8-trimethylquinoline-6-carboxamide?
The IUPAC name of N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide (CID 82574396) is N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide?
The canonical SMILES for N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide is Cc1cc(C)c2cc(C(=O)NO)cc(C)c2n1.
What is the InChIKey of N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide?
The InChIKey is AFUMTYQAIOQZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-4-9(3)14-12-8(2)5-10(6-11(7)12)13(16)15-17/h4-6,17H,1-3H3,(H,15,16).
What are the key properties of N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide?
N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,4,8-trimethylquinoline-6-carboxamide is sourced from PubChem (CID 82574396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).