2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide

C14H17N3O — CID 63884548

IUPAC2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OC(C)(C)C)nc2ccccc12
InChIInChI=1S/C14H17N3O/c1-14(2,3)18-12-8-10(13(15)16)9-6-4-5-7-11(9)17-12/h4-8H,1-3H3,(H3,15,16)
InChIKeyDJVXOYSRIZXGDY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.70
Rot. Bonds2

About 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide

2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide (PubChem CID 63884548) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
PubChem CID63884548
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(OC(C)(C)C)nc2ccccc12
InChIInChI=1S/C14H17N3O/c1-14(2,3)18-12-8-10(13(15)16)9-6-4-5-7-11(9)17-12/h4-8H,1-3H3,(H3,15,16)
InChIKeyDJVXOYSRIZXGDY-UHFFFAOYSA-N
XLogP2.70
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-propoxyquinoline-4-carboximidamide
CID 63885122
2-(2,2,2-trifluoroethoxy)quinoline-4-carboximidamide
CID 63885310
2-(2-hydroxyethoxy)quinoline-4-carboximidamide
CID 63884357
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
2-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
2-[2-(2-methoxyethoxy)ethoxy]quinoline-4-carboximidamide
CID 104562386
2-(2-propoxyethoxy)quinoline-4-carboximidamide
CID 63883975
2-(oxan-4-yloxy)quinoline-4-carboximidamide
CID 63885693
2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide
CID 63884159
2-[ethyl(2-methoxyethyl)amino]quinoline-4-carboximidamide
CID 63883578
2-(2,6-dimethylmorpholin-4-yl)quinoline-4-carboximidamide
CID 63883747
2-methyl-N-[[2-[(2-methylpropan-2-yl)oxy]quinolin-4-yl]methyl]propan-2-amine
CID 62290562

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide (CID 63884548) is 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(OC(C)(C)C)nc2ccccc12.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide?
The InChIKey is DJVXOYSRIZXGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-14(2,3)18-12-8-10(13(15)16)9-6-4-5-7-11(9)17-12/h4-8H,1-3H3,(H3,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide?
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide has a molecular weight of 243.31 g/mol, XLogP of 2.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide is sourced from PubChem (CID 63884548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).