N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide

C16H17ClN4O2 — CID 761994

IUPACN-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-16-13(9-12-3-1-2-4-14(12)19-16)10-18-20-15(22)11-21-5-7-23-8-6-21/h1-4,9-10H,5-8,11H2,(H,20,22)
InChIKeyYLEBXOYGGJLSIC-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.67
Rot. Bonds4

About N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide

N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide (PubChem CID 761994) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
PubChem CID761994
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN=Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C16H17ClN4O2/c17-16-13(9-12-3-1-2-4-14(12)19-16)10-18-20-15(22)11-21-5-7-23-8-6-21/h1-4,9-10H,5-8,11H2,(H,20,22)
InChIKeyYLEBXOYGGJLSIC-UHFFFAOYSA-N
XLogP1.67
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-ylacetamide
CID 5411350
2-[(Z)-[(2-morpholin-4-ylacetyl)hydrazinylidene]methyl]benzoic acid
CID 5426552
N-[(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 3330372
N-[(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 1274642
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 1274174
2-morpholin-4-yl-N-[(E)-(2,3,5-trichlorophenyl)methylideneamino]acetamide
CID 126007489
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 6897391
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 137077970
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 5426268
N-[(E)-(2-chloro-4,5-dimethoxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide
CID 6877310
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

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide (CID 761994) is N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NN=Cc1cc2ccccc2nc1Cl.
What is the InChIKey of N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide?
The InChIKey is YLEBXOYGGJLSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-16-13(9-12-3-1-2-4-14(12)19-16)10-18-20-15(22)11-21-5-7-23-8-6-21/h1-4,9-10H,5-8,11H2,(H,20,22).
What are the key properties of N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide?
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide has a molecular weight of 332.79 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 761994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).