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

C18H13Cl2N3O2 — CID 9016382

IUPAC2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2nc(Cl)c(/C=N\NC(=O)c3ccccc3Cl)cc2c1
InChIInChI=1S/C18H13Cl2N3O2/c1-25-13-6-7-16-11(9-13)8-12(17(20)22-16)10-21-23-18(24)14-4-2-3-5-15(14)19/h2-10H,1H3,(H,23,24)/b21-10-
InChIKeyLBGQBFBRCMUCPJ-FBHDLOMBSA-N
MW374.23 g/mol
LogP4.31
Rot. Bonds4

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

2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide (PubChem CID 9016382) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
PubChem CID9016382
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC Name2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide
SMILESCOc1ccc2nc(Cl)c(/C=N\NC(=O)c3ccccc3Cl)cc2c1
InChIInChI=1S/C18H13Cl2N3O2/c1-25-13-6-7-16-11(9-13)8-12(17(20)22-16)10-21-23-18(24)14-4-2-3-5-15(14)19/h2-10H,1H3,(H,23,24)/b21-10-
InChIKeyLBGQBFBRCMUCPJ-FBHDLOMBSA-N
XLogP4.31
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 54.31
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

N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
CID 9234987
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 9317040
N'-[(E)-(2-chloroquinolin-3-yl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 51061370
N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 5390979
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
2-chloro-N-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]benzamide
CID 6871464
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
1-(2-chloro-6-methoxyquinolin-3-yl)-N-methylmethanimine;hydrate
CID 166706707
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-methoxybenzamide
CID 5404314
2-chloro-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 6870033
2-chloro-N-[(Z)-(3,5-dichloro-2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110509287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide?
The IUPAC name of 2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide (CID 9016382) is 2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide?
The canonical SMILES for 2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide is COc1ccc2nc(Cl)c(/C=N\NC(=O)c3ccccc3Cl)cc2c1.
What is the InChIKey of 2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide?
The InChIKey is LBGQBFBRCMUCPJ-FBHDLOMBSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c1-25-13-6-7-16-11(9-13)8-12(17(20)22-16)10-21-23-18(24)14-4-2-3-5-15(14)19/h2-10H,1H3,(H,23,24)/b21-10-.
What are the key properties of 2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide?
2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide has a molecular weight of 374.23 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 9016382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).