2-(3-methylphenoxy)quinoline-4-carboximidamide

C17H15N3O — CID 63884736

IUPAC2-(3-methylphenoxy)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2cccc(C)c2)nc2ccccc12
InChIInChI=1S/C17H15N3O/c1-11-5-4-6-12(9-11)21-16-10-14(17(18)19)13-7-2-3-8-15(13)20-16/h2-10H,1H3,(H3,18,19)
InChIKeyGEDWKEZHONWCKV-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.62
Rot. Bonds3

About 2-(3-methylphenoxy)quinoline-4-carboximidamide

2-(3-methylphenoxy)quinoline-4-carboximidamide (PubChem CID 63884736) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-(3-methylphenoxy)quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)quinoline-4-carboximidamide
PubChem CID63884736
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-(3-methylphenoxy)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(Oc2cccc(C)c2)nc2ccccc12
InChIInChI=1S/C17H15N3O/c1-11-5-4-6-12(9-11)21-16-10-14(17(18)19)13-7-2-3-8-15(13)20-16/h2-10H,1H3,(H3,18,19)
InChIKeyGEDWKEZHONWCKV-UHFFFAOYSA-N
XLogP3.62
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.62
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-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
2-[(2-methylpropan-2-yl)oxy]quinoline-4-carboximidamide
CID 63884548
2-propoxyquinoline-4-carboximidamide
CID 63885122
2-(2-hydroxyethoxy)quinoline-4-carboximidamide
CID 63884357
4-(chloromethyl)-2-(3-methylphenoxy)quinoline
CID 63446156
5-methyl-2-(3-methylphenoxy)benzenecarboximidamide
CID 114017320
6-(3-methylphenoxy)pyridine-3-carboximidamide
CID 24705712
2-(2,2,2-trifluoroethoxy)quinoline-4-carboximidamide
CID 63885310
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
[4-(3-methylphenoxy)quinolin-2-yl]methanol
CID 63376019

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)quinoline-4-carboximidamide?
The IUPAC name of 2-(3-methylphenoxy)quinoline-4-carboximidamide (CID 63884736) is 2-(3-methylphenoxy)quinoline-4-carboximidamide.
What is the SMILES notation for 2-(3-methylphenoxy)quinoline-4-carboximidamide?
The canonical SMILES for 2-(3-methylphenoxy)quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(Oc2cccc(C)c2)nc2ccccc12.
What is the InChIKey of 2-(3-methylphenoxy)quinoline-4-carboximidamide?
The InChIKey is GEDWKEZHONWCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-5-4-6-12(9-11)21-16-10-14(17(18)19)13-7-2-3-8-15(13)20-16/h2-10H,1H3,(H3,18,19).
What are the key properties of 2-(3-methylphenoxy)quinoline-4-carboximidamide?
2-(3-methylphenoxy)quinoline-4-carboximidamide has a molecular weight of 277.33 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)quinoline-4-carboximidamide is sourced from PubChem (CID 63884736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).