N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide

C18H14ClN3O2 — CID 6877789

IUPACN-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide
SMILESCc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccccc3O)cc2c1
InChIInChI=1S/C18H14ClN3O2/c1-11-6-7-15-12(8-11)9-13(17(19)21-15)10-20-22-18(24)14-4-2-3-5-16(14)23/h2-10,23H,1H3,(H,22,24)/b20-10+
InChIKeyRSIWUSHFTQTAFQ-KEBDBYFISA-N
MW339.78 g/mol
LogP3.67
Rot. Bonds3

About N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide

N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide (PubChem CID 6877789) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide
PubChem CID6877789
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC NameN-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide
SMILESCc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccccc3O)cc2c1
InChIInChI=1S/C18H14ClN3O2/c1-11-6-7-15-12(8-11)9-13(17(19)21-15)10-20-22-18(24)14-4-2-3-5-16(14)23/h2-10,23H,1H3,(H,22,24)/b20-10+
InChIKeyRSIWUSHFTQTAFQ-KEBDBYFISA-N
XLogP3.67
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide (CID 6877789) is N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide is Cc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccccc3O)cc2c1.
What is the InChIKey of N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide?
The InChIKey is RSIWUSHFTQTAFQ-KEBDBYFISA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-11-6-7-15-12(8-11)9-13(17(19)21-15)10-20-22-18(24)14-4-2-3-5-16(14)23/h2-10,23H,1H3,(H,22,24)/b20-10+.
What are the key properties of N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide?
N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide has a molecular weight of 339.78 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-6-methylquinolin-3-yl)methylideneamino]-2-hydroxybenzamide is sourced from PubChem (CID 6877789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).