4-(quinolin-8-yloxymethyl)benzenecarboximidamide

C17H15N3O — CID 28825198

IUPAC4-(quinolin-8-yloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cccc3cccnc23)cc1
InChIInChI=1S/C17H15N3O/c18-17(19)14-8-6-12(7-9-14)11-21-15-5-1-3-13-4-2-10-20-16(13)15/h1-10H,11H2,(H3,18,19)
InChIKeyPMWFAKGNZOZEOF-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.10
Rot. Bonds4

About 4-(quinolin-8-yloxymethyl)benzenecarboximidamide

4-(quinolin-8-yloxymethyl)benzenecarboximidamide (PubChem CID 28825198) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(quinolin-8-yloxymethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(quinolin-8-yloxymethyl)benzenecarboximidamide
PubChem CID28825198
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-(quinolin-8-yloxymethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(COc2cccc3cccnc23)cc1
InChIInChI=1S/C17H15N3O/c18-17(19)14-8-6-12(7-9-14)11-21-15-5-1-3-13-4-2-10-20-16(13)15/h1-10H,11H2,(H3,18,19)
InChIKeyPMWFAKGNZOZEOF-UHFFFAOYSA-N
XLogP3.10
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.10
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

3-(quinolin-8-yloxymethyl)benzenecarboximidamide;hydrochloride
CID 82253720
4-[(3-chloro-2-fluorophenoxy)methyl]benzenecarboximidamide
CID 116689241
4-[(2-propoxyphenoxy)methyl]benzenecarboximidamide
CID 24700707
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-4-(quinolin-8-yloxymethyl)benzamide
CID 5000225
4-[[4-[(4-carbamimidoylphenoxy)methyl]phenyl]methoxy]benzenecarboximidamide;methane
CID 161112303
4-quinolin-8-ylsulfonylbenzenecarboximidamide
CID 57159416
3-(quinolin-8-yloxymethyl)pyridine-2-carbothioamide
CID 62895650
4-[(3-bromophenoxy)methyl]benzenecarboximidamide
CID 24705552
4-[5-(2-phenylmethoxyphenoxy)pentoxy]benzenecarboximidamide
CID 19794887
N'-[1-(5-methylfuran-2-yl)ethenyl]-4-(quinolin-8-yloxymethyl)benzohydrazide
CID 2340885
N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 2368203
[6-(quinolin-8-yloxymethyl)-2-pyridinyl]methanamine
CID 106908172

Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-8-yloxymethyl)benzenecarboximidamide?
The IUPAC name of 4-(quinolin-8-yloxymethyl)benzenecarboximidamide (CID 28825198) is 4-(quinolin-8-yloxymethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(quinolin-8-yloxymethyl)benzenecarboximidamide?
The canonical SMILES for 4-(quinolin-8-yloxymethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(COc2cccc3cccnc23)cc1.
What is the InChIKey of 4-(quinolin-8-yloxymethyl)benzenecarboximidamide?
The InChIKey is PMWFAKGNZOZEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17(19)14-8-6-12(7-9-14)11-21-15-5-1-3-13-4-2-10-20-16(13)15/h1-10H,11H2,(H3,18,19).
What are the key properties of 4-(quinolin-8-yloxymethyl)benzenecarboximidamide?
4-(quinolin-8-yloxymethyl)benzenecarboximidamide has a molecular weight of 277.33 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-8-yloxymethyl)benzenecarboximidamide is sourced from PubChem (CID 28825198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).