N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide

C17H20ClN4O2+ — CID 2262526

IUPACN-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
SMILESCc1ccc2nc(Cl)c(C=NNC(=O)C[NH+]3CCOCC3)cc2c1
InChIInChI=1S/C17H19ClN4O2/c1-12-2-3-15-13(8-12)9-14(17(18)20-15)10-19-21-16(23)11-22-4-6-24-7-5-22/h2-3,8-10H,4-7,11H2,1H3,(H,21,23)/p+1
InChIKeyIDOJCCJIVDOEQT-UHFFFAOYSA-O
MW347.83 g/mol
LogP0.56
Rot. Bonds4

About N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide

N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 2262526) has the molecular formula C17H20ClN4O2+ and a molecular weight of 347.83 g/mol. Its IUPAC name is N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
PubChem CID2262526
Molecular FormulaC17H20ClN4O2+
Molecular Weight347.83 g/mol
Exact Mass347.13
IUPAC NameN-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
SMILESCc1ccc2nc(Cl)c(C=NNC(=O)C[NH+]3CCOCC3)cc2c1
InChIInChI=1S/C17H19ClN4O2/c1-12-2-3-15-13(8-12)9-14(17(18)20-15)10-19-21-16(23)11-22-4-6-24-7-5-22/h2-3,8-10H,4-7,11H2,1H3,(H,21,23)/p+1
InChIKeyIDOJCCJIVDOEQT-UHFFFAOYSA-O
XLogP0.56
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.83
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 7452279
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 761994
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5439769
N-[(2,4-dichlorophenyl)methylideneamino]-3-morpholin-4-ium-4-ylpropanamide
CID 4744533
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(2,6-dichlorophenyl)methylsulfanyl]acetamide
CID 126123951
N-[(4-bromophenyl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide
CID 3458621
N-[(Z)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 8867893
N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1377609
N-[2-[(2Z)-2-[(2-chloroquinolin-3-yl)methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6304212
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6897391
(2S)-N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]pyrrolidin-1-ium-2-carboxamide chloride
CID 44660832

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide (CID 2262526) is N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide is Cc1ccc2nc(Cl)c(C=NNC(=O)C[NH+]3CCOCC3)cc2c1.
What is the InChIKey of N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is IDOJCCJIVDOEQT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H19ClN4O2/c1-12-2-3-15-13(8-12)9-14(17(18)20-15)10-19-21-16(23)11-22-4-6-24-7-5-22/h2-3,8-10H,4-7,11H2,1H3,(H,21,23)/p+1.
What are the key properties of N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide?
N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 347.83 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 2262526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).