N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide

C15H18N4O2 — CID 79670680

IUPACN'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide
SMILESCc1cc2ccccc2nc1N1CCOC(C(N)=NO)C1
InChIInChI=1S/C15H18N4O2/c1-10-8-11-4-2-3-5-12(11)17-15(10)19-6-7-21-13(9-19)14(16)18-20/h2-5,8,13,20H,6-7,9H2,1H3,(H2,16,18)
InChIKeyCPIDPCGVFOFKMR-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.49
Rot. Bonds2

About N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide

N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide (PubChem CID 79670680) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide
PubChem CID79670680
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide
SMILESCc1cc2ccccc2nc1N1CCOC(C(N)=NO)C1
InChIInChI=1S/C15H18N4O2/c1-10-8-11-4-2-3-5-12(11)17-15(10)19-6-7-21-13(9-19)14(16)18-20/h2-5,8,13,20H,6-7,9H2,1H3,(H2,16,18)
InChIKeyCPIDPCGVFOFKMR-UHFFFAOYSA-N
XLogP1.49
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.49
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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Related Compounds

4-(3-methylquinoxalin-2-yl)morpholine-2-carboxamide
CID 49432754
N'-hydroxy-4-quinolin-4-ylmorpholine-2-carboximidamide
CID 79681427
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
N'-hydroxy-4-(4-methylpyrimidin-2-yl)morpholine-2-carboximidamide
CID 79680518
[4-methyl-1-(3-methylquinolin-2-yl)piperidin-3-yl]methanamine
CID 114961620
2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline
CID 114682615
2-[1-(3-methylquinolin-2-yl)pyrrolidin-3-yl]ethanol
CID 115733660
N'-hydroxy-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine-2-carboximidamide
CID 79681250
4-quinolin-2-ylmorpholine-2-carboxamide
CID 133278543
[4-(3-methylquinoxalin-2-yl)morpholin-2-yl]methanol
CID 79839156
N'-hydroxy-4-(quinolin-6-ylmethyl)morpholine-2-carboximidamide
CID 79670544
[2-[2-(2-methylphenyl)morpholin-4-yl]quinolin-3-yl]methanol
CID 133354127

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide (CID 79670680) is N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide is Cc1cc2ccccc2nc1N1CCOC(C(N)=NO)C1.
What is the InChIKey of N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide?
The InChIKey is CPIDPCGVFOFKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-8-11-4-2-3-5-12(11)17-15(10)19-6-7-21-13(9-19)14(16)18-20/h2-5,8,13,20H,6-7,9H2,1H3,(H2,16,18).
What are the key properties of N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide?
N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide has a molecular weight of 286.33 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-methylquinolin-2-yl)morpholine-2-carboximidamide is sourced from PubChem (CID 79670680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).