3-methyl-2-quinolin-3-yloxybenzenecarboximidamide

C17H15N3O — CID 107387226

IUPAC3-methyl-2-quinolin-3-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1cnc2ccccc2c1
InChIInChI=1S/C17H15N3O/c1-11-5-4-7-14(17(18)19)16(11)21-13-9-12-6-2-3-8-15(12)20-10-13/h2-10H,1H3,(H3,18,19)
InChIKeyIFVKPGJJEVFWHG-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.62
Rot. Bonds3

About 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide

3-methyl-2-quinolin-3-yloxybenzenecarboximidamide (PubChem CID 107387226) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-2-quinolin-3-yloxybenzenecarboximidamide
PubChem CID107387226
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name3-methyl-2-quinolin-3-yloxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1Oc1cnc2ccccc2c1
InChIInChI=1S/C17H15N3O/c1-11-5-4-7-14(17(18)19)16(11)21-13-9-12-6-2-3-8-15(12)20-10-13/h2-10H,1H3,(H3,18,19)
InChIKeyIFVKPGJJEVFWHG-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

5-chloro-2-quinolin-3-yloxybenzenecarboximidamide
CID 107387242
2-(4-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110587
2-[4-(2-hydroxyethyl)phenoxy]-3-methylbenzenecarboximidamide
CID 107709009
2-(4-chloro-3-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110642
2-(2-ethylphenoxy)-3-methylbenzenecarboximidamide
CID 107110639
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
2-butoxy-3-methylbenzenecarboximidamide
CID 107110644
5-(2-methylphenoxy)pyridine-2-carboximidamide
CID 113321278
2-(2,6-dimethylphenoxy)pyridine-4-carboximidamide
CID 24710757
2-(3-methylphenoxy)quinoline-4-carboximidamide
CID 63884736
4-quinolin-3-yloxybenzenecarbothioamide
CID 107387175
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-3-methylbenzenecarboximidamide
CID 107743296

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide?
The IUPAC name of 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide (CID 107387226) is 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide.
What is the SMILES notation for 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide?
The canonical SMILES for 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1Oc1cnc2ccccc2c1.
What is the InChIKey of 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide?
The InChIKey is IFVKPGJJEVFWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-5-4-7-14(17(18)19)16(11)21-13-9-12-6-2-3-8-15(12)20-10-13/h2-10H,1H3,(H3,18,19).
What are the key properties of 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide?
3-methyl-2-quinolin-3-yloxybenzenecarboximidamide 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 3-methyl-2-quinolin-3-yloxybenzenecarboximidamide is sourced from PubChem (CID 107387226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).