4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide

C17H13N3O2 — CID 139203008

IUPAC4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2ccccc2n1)c1ccc(O)cc1
InChIInChI=1S/C17H13N3O2/c21-15-9-6-13(7-10-15)17(22)20-18-11-14-8-5-12-3-1-2-4-16(12)19-14/h1-11,21H,(H,20,22)/b18-11+
InChIKeyGHPWNWSGAOIENL-WOJGMQOQSA-N
MW291.31 g/mol
LogP2.70
Rot. Bonds3

About 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide

4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide (PubChem CID 139203008) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
PubChem CID139203008
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccc2ccccc2n1)c1ccc(O)cc1
InChIInChI=1S/C17H13N3O2/c21-15-9-6-13(7-10-15)17(22)20-18-11-14-8-5-12-3-1-2-4-16(12)19-14/h1-11,21H,(H,20,22)/b18-11+
InChIKeyGHPWNWSGAOIENL-WOJGMQOQSA-N
XLogP2.70
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.70
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

4-methoxy-N-(quinolin-2-ylmethylideneamino)benzamide
CID 54345301
4-hydroxy-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9212160
3-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]naphthalene-2-carboxamide
CID 118569920
4-hydroxy-N-[(Z)-pyridin-2-ylmethylideneamino]benzamide
CID 5402772
4-hydroxy-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135400287
N-(anthracen-9-ylmethylideneamino)-4-hydroxybenzamide
CID 702160
4-hydroxy-N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5406601
4-amino-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9034461
3,4,5-trihexadecoxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide
CID 177489664
4-hydroxy-N-[(E)-(4-hydroxynaphthalen-1-yl)methylideneamino]benzamide
CID 135542439
(Z)-1-quinolin-2-yl-N-[(Z)-quinolin-2-ylmethylideneamino]methanimine
CID 6299697
4-ethyl-N-[(Z)-quinoxalin-2-ylmethylideneamino]benzamide
CID 9234354

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide?
The IUPAC name of 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide (CID 139203008) is 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccc2ccccc2n1)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide?
The InChIKey is GHPWNWSGAOIENL-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-15-9-6-13(7-10-15)17(22)20-18-11-14-8-5-12-3-1-2-4-16(12)19-14/h1-11,21H,(H,20,22)/b18-11+.
What are the key properties of 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide?
4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide has a molecular weight of 291.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(E)-quinolin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 139203008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).