N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide

C15H14ClN3O2 — CID 9234987

IUPACN-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
SMILESCOc1ccc2nc(Cl)c(/C=N\NC(=O)C3CC3)cc2c1
InChIInChI=1S/C15H14ClN3O2/c1-21-12-4-5-13-10(7-12)6-11(14(16)18-13)8-17-19-15(20)9-2-3-9/h4-9H,2-3H2,1H3,(H,19,20)/b17-8-
InChIKeyRYIJBGKRAGANMT-IUXPMGMMSA-N
MW303.75 g/mol
LogP2.76
Rot. Bonds4

About N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide

N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide (PubChem CID 9234987) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
PubChem CID9234987
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
SMILESCOc1ccc2nc(Cl)c(/C=N\NC(=O)C3CC3)cc2c1
InChIInChI=1S/C15H14ClN3O2/c1-21-12-4-5-13-10(7-12)6-11(14(16)18-13)8-17-19-15(20)9-2-3-9/h4-9H,2-3H2,1H3,(H,19,20)/b17-8-
InChIKeyRYIJBGKRAGANMT-IUXPMGMMSA-N
XLogP2.76
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.76
H-Bond Donors ≤ 51
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

2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
CID 9016382
N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 5390979
1-(2-chloro-6-methoxyquinolin-3-yl)-N-methylmethanimine;hydrate
CID 166706707
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317040
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 4146169
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061370
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
CID 1274174
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 6113811
(Z)-1-(2-chloro-6-methoxyquinolin-3-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanimine
CID 9012708
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126012049
N-[(E)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-8-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
CID 44722860
(E)-3-(2-chloro-6-methoxyquinolin-3-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 45257570

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide?
The IUPAC name of N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide (CID 9234987) is N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide.
What is the SMILES notation for N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide?
The canonical SMILES for N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide is COc1ccc2nc(Cl)c(/C=N\NC(=O)C3CC3)cc2c1.
What is the InChIKey of N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide?
The InChIKey is RYIJBGKRAGANMT-IUXPMGMMSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-21-12-4-5-13-10(7-12)6-11(14(16)18-13)8-17-19-15(20)9-2-3-9/h4-9H,2-3H2,1H3,(H,19,20)/b17-8-.
What are the key properties of N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide?
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide is sourced from PubChem (CID 9234987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).