2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide

C16H20N4O — CID 63883955

IUPAC2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)C2CCOCC2)nc2ccccc12
InChIInChI=1S/C16H20N4O/c1-20(11-6-8-21-9-7-11)15-10-13(16(17)18)12-4-2-3-5-14(12)19-15/h2-5,10-11H,6-9H2,1H3,(H3,17,18)
InChIKeyGAYNDLMJJQXIDT-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.13
Rot. Bonds3

About 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide

2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide (PubChem CID 63883955) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide
PubChem CID63883955
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(N(C)C2CCOCC2)nc2ccccc12
InChIInChI=1S/C16H20N4O/c1-20(11-6-8-21-9-7-11)15-10-13(16(17)18)12-4-2-3-5-14(12)19-15/h2-5,10-11H,6-9H2,1H3,(H3,17,18)
InChIKeyGAYNDLMJJQXIDT-UHFFFAOYSA-N
XLogP2.13
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.13
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide?
The IUPAC name of 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide (CID 63883955) is 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide.
What is the SMILES notation for 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide?
The canonical SMILES for 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(N(C)C2CCOCC2)nc2ccccc12.
What is the InChIKey of 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide?
The InChIKey is GAYNDLMJJQXIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(11-6-8-21-9-7-11)15-10-13(16(17)18)12-4-2-3-5-14(12)19-15/h2-5,10-11H,6-9H2,1H3,(H3,17,18).
What are the key properties of 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide?
2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide is sourced from PubChem (CID 63883955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).