4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide

C15H20N4O — CID 43669797

IUPAC4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
SMILESCCC(C)N(C)c1c(/C(N)=N/O)cnc2ccccc12
InChIInChI=1S/C15H20N4O/c1-4-10(2)19(3)14-11-7-5-6-8-13(11)17-9-12(14)15(16)18-20/h5-10,20H,4H2,1-3H3,(H2,16,18)
InChIKeyBVRYYOLAGVXVPU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds4

About 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide

4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide (PubChem CID 43669797) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide.

Molecular Properties

Compound Name4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
PubChem CID43669797
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide
SMILESCCC(C)N(C)c1c(/C(N)=N/O)cnc2ccccc12
InChIInChI=1S/C15H20N4O/c1-4-10(2)19(3)14-11-7-5-6-8-13(11)17-9-12(14)15(16)18-20/h5-10,20H,4H2,1-3H3,(H2,16,18)
InChIKeyBVRYYOLAGVXVPU-UHFFFAOYSA-N
XLogP2.56
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide?
The IUPAC name of 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide (CID 43669797) is 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide.
What is the SMILES notation for 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide?
The canonical SMILES for 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide is CCC(C)N(C)c1c(/C(N)=N/O)cnc2ccccc12.
What is the InChIKey of 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide?
The InChIKey is BVRYYOLAGVXVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-10(2)19(3)14-11-7-5-6-8-13(11)17-9-12(14)15(16)18-20/h5-10,20H,4H2,1-3H3,(H2,16,18).
What are the key properties of 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide?
4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide has a molecular weight of 272.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butan-2-yl(methyl)amino]-N'-hydroxyquinoline-3-carboximidamide is sourced from PubChem (CID 43669797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).