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

C19H17N3O2 — CID 135479710

IUPACN-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
InChIInChI=1S/C19H17N3O2/c23-17-8-4-7-15-10-11-16(21-19(15)17)13-20-22-18(24)12-9-14-5-2-1-3-6-14/h1-8,10-11,13,23H,9,12H2,(H,22,24)/b20-13+
InChIKeyIBBFFYQBJRPFRH-DEDYPNTBSA-N
MW319.36 g/mol
LogP3.02
Rot. Bonds5

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

N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide (PubChem CID 135479710) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide
PubChem CID135479710
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC NameN-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1
InChIInChI=1S/C19H17N3O2/c23-17-8-4-7-15-10-11-16(21-19(15)17)13-20-22-18(24)12-9-14-5-2-1-3-6-14/h1-8,10-11,13,23H,9,12H2,(H,22,24)/b20-13+
InChIKeyIBBFFYQBJRPFRH-DEDYPNTBSA-N
XLogP3.02
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.02
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide (CID 135479710) is N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide is O=C(CCc1ccccc1)N/N=C/c1ccc2cccc(O)c2n1.
What is the InChIKey of N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide?
The InChIKey is IBBFFYQBJRPFRH-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-17-8-4-7-15-10-11-16(21-19(15)17)13-20-22-18(24)12-9-14-5-2-1-3-6-14/h1-8,10-11,13,23H,9,12H2,(H,22,24)/b20-13+.
What are the key properties of N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide?
N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide has a molecular weight of 319.36 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(8-hydroxyquinolin-2-yl)methylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 135479710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).