3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride

C17H16ClN3O — CID 82253720

IUPAC3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(COc2cccc3cccnc23)c1
InChIInChI=1S/C17H15N3O.ClH/c18-17(19)14-6-1-4-12(10-14)11-21-15-8-2-5-13-7-3-9-20-16(13)15;/h1-10H,11H2,(H3,18,19);1H
InChIKeyPLNWEHRSCSUWHA-UHFFFAOYSA-N
MW313.79 g/mol
LogP3.52
Rot. Bonds4

About 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride

3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride (PubChem CID 82253720) has the molecular formula C17H16ClN3O and a molecular weight of 313.79 g/mol. Its IUPAC name is 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound Name3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride
PubChem CID82253720
Molecular FormulaC17H16ClN3O
Molecular Weight313.79 g/mol
Exact Mass313.10
IUPAC Name3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cccc(COc2cccc3cccnc23)c1
InChIInChI=1S/C17H15N3O.ClH/c18-17(19)14-6-1-4-12(10-14)11-21-15-8-2-5-13-7-3-9-20-16(13)15;/h1-10H,11H2,(H3,18,19);1H
InChIKeyPLNWEHRSCSUWHA-UHFFFAOYSA-N
XLogP3.52
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 53.52
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

4-(quinolin-8-yloxymethyl)benzenecarboximidamide
CID 28825198
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017
3-[(2,4-difluorophenoxy)methyl]benzenecarboximidamide
CID 24704765
3-[[5-[(3-ethanimidoylphenyl)methoxy]naphthalen-1-yl]oxymethyl]benzenecarboximidamide
CID 143028132
3-[[2-(2-hydroxyethyl)phenoxy]methyl]benzenecarboximidamide
CID 107712654
3-[(4-bromo-2-methylphenoxy)methyl]benzenecarboximidamide
CID 63216529
3,5-dibromo-4-[(3-carbamimidoylphenyl)methoxy]benzenecarboximidamide
CID 73353685
3-[(2-methoxy-4-methylphenoxy)methyl]benzenecarboximidamide
CID 24709656
3-[(2-fluoro-5-methylphenoxy)methyl]benzenecarboximidamide
CID 64853652
4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
CID 73355195
3-(2-pyridin-2-ylethoxymethyl)benzenecarboximidamide
CID 43128901
3-[(2,4,6-trimethylphenoxy)methyl]benzenecarboximidamide
CID 61218400

Frequently Asked Questions

What is the IUPAC name of 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride?
The IUPAC name of 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride (CID 82253720) is 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cccc(COc2cccc3cccnc23)c1.
What is the InChIKey of 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride?
The InChIKey is PLNWEHRSCSUWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O.ClH/c18-17(19)14-6-1-4-12(10-14)11-21-15-8-2-5-13-7-3-9-20-16(13)15;/h1-10H,11H2,(H3,18,19);1H.
What are the key properties of 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride?
3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride has a molecular weight of 313.79 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 82253720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).