3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide

C17H12ClN3O2 — CID 135544812

IUPAC3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2cccc(O)c2n1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O2/c18-13-5-1-4-12(9-13)17(23)21-19-10-14-8-7-11-3-2-6-15(22)16(11)20-14/h1-10,22H,(H,21,23)/b19-10+
InChIKeyFNFYBASMAMQYLV-VXLYETTFSA-N
MW325.76 g/mol
LogP3.36
Rot. Bonds3

About 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide

3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide (PubChem CID 135544812) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.76 g/mol. Its IUPAC name is 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
PubChem CID135544812
Molecular FormulaC17H12ClN3O2
Molecular Weight325.76 g/mol
Exact Mass325.06
IUPAC Name3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2cccc(O)c2n1)c1cccc(Cl)c1
InChIInChI=1S/C17H12ClN3O2/c18-13-5-1-4-12(9-13)17(23)21-19-10-14-8-7-11-3-2-6-15(22)16(11)20-14/h1-10,22H,(H,21,23)/b19-10+
InChIKeyFNFYBASMAMQYLV-VXLYETTFSA-N
XLogP3.36
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-[(Z)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide
CID 136777396
3-chloro-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 5332427
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[(Z)-(3-hydroxyphenyl)methylideneamino]benzamide
CID 5407450
3-chloro-N-(thiophen-2-ylmethylideneamino)benzamide
CID 691642
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459
3-chloro-N-[[5-chloro-2-hydroxy-3-(trifluoromethyl)phenyl]methylideneamino]benzamide
CID 137093572
N-[(E)-(6-methyl-2-pyridinyl)methylideneamino]benzamide
CID 14987546
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979
3-chloro-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 4120444
3-chloro-N-[(2-methoxyphenyl)methylideneamino]benzamide
CID 913510

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
The IUPAC name of 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide (CID 135544812) is 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide.
What is the SMILES notation for 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
The canonical SMILES for 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide is O=C(N/N=C/c1ccc2cccc(O)c2n1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
The InChIKey is FNFYBASMAMQYLV-VXLYETTFSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c18-13-5-1-4-12(9-13)17(23)21-19-10-14-8-7-11-3-2-6-15(22)16(11)20-14/h1-10,22H,(H,21,23)/b19-10+.
What are the key properties of 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide?
3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide has a molecular weight of 325.76 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]benzamide is sourced from PubChem (CID 135544812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).