N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide

C15H18N4O2 — CID 79670534

IUPACN'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(Cc2ccnc3ccccc23)CCO1
InChIInChI=1S/C15H18N4O2/c16-15(18-20)14-10-19(7-8-21-14)9-11-5-6-17-13-4-2-1-3-12(11)13/h1-6,14,20H,7-10H2,(H2,16,18)
InChIKeyOJFQOSUBZQZSJU-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.18
Rot. Bonds3

About N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide

N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide (PubChem CID 79670534) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide
PubChem CID79670534
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(Cc2ccnc3ccccc23)CCO1
InChIInChI=1S/C15H18N4O2/c16-15(18-20)14-10-19(7-8-21-14)9-11-5-6-17-13-4-2-1-3-12(11)13/h1-6,14,20H,7-10H2,(H2,16,18)
InChIKeyOJFQOSUBZQZSJU-UHFFFAOYSA-N
XLogP1.18
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide (CID 79670534) is N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide is NC(=NO)C1CN(Cc2ccnc3ccccc23)CCO1.
What is the InChIKey of N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide?
The InChIKey is OJFQOSUBZQZSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c16-15(18-20)14-10-19(7-8-21-14)9-11-5-6-17-13-4-2-1-3-12(11)13/h1-6,14,20H,7-10H2,(H2,16,18).
What are the key properties of N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide has a molecular weight of 286.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(quinolin-4-ylmethyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79670534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).