N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

C17H13N3O3 — CID 54725416

IUPACN-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13N3O3/c21-15-12-8-4-5-9-13(12)19-16(22)14(15)17(23)20-18-10-11-6-2-1-3-7-11/h1-10H,(H,20,23)(H2,19,21,22)/b18-10+
InChIKeyADDZLKKZKXLNRZ-VCHYOVAHSA-N
MW307.31 g/mol
LogP2.00
Rot. Bonds3

About N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide

N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 54725416) has the molecular formula C17H13N3O3 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID54725416
Molecular FormulaC17H13N3O3
Molecular Weight307.31 g/mol
Exact Mass307.10
IUPAC NameN-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C17H13N3O3/c21-15-12-8-4-5-9-13(12)19-16(22)14(15)17(23)20-18-10-11-6-2-1-3-7-11/h1-10H,(H,20,23)(H2,19,21,22)/b18-10+
InChIKeyADDZLKKZKXLNRZ-VCHYOVAHSA-N
XLogP2.00
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
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)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 54725416) is N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is O=C(N/N=C/c1ccccc1)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is ADDZLKKZKXLNRZ-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H13N3O3/c21-15-12-8-4-5-9-13(12)19-16(22)14(15)17(23)20-18-10-11-6-2-1-3-7-11/h1-10H,(H,20,23)(H2,19,21,22)/b18-10+.
What are the key properties of N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 54725416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).