N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

C18H15N3O3 — CID 136774436

IUPACN-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCc1ccc2[nH]c(=O)c(/C=N\NC(=O)c3ccccc3)c(O)c2c1
InChIInChI=1S/C18H15N3O3/c1-11-7-8-15-13(9-11)16(22)14(18(24)20-15)10-19-21-17(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)(H2,20,22,24)/b19-10-
InChIKeyJRBBXIJONXOZOV-GRSHGNNSSA-N
MW321.34 g/mol
LogP2.31
Rot. Bonds3

About N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide

N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (PubChem CID 136774436) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
PubChem CID136774436
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
SMILESCc1ccc2[nH]c(=O)c(/C=N\NC(=O)c3ccccc3)c(O)c2c1
InChIInChI=1S/C18H15N3O3/c1-11-7-8-15-13(9-11)16(22)14(18(24)20-15)10-19-21-17(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)(H2,20,22,24)/b19-10-
InChIKeyJRBBXIJONXOZOV-GRSHGNNSSA-N
XLogP2.31
TPSA94.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.31
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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Related Compounds

5-methyl-3-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1H-indole-2-carboxylic acid
CID 137189876
N-[(E)-(2-hydroxy-5-methylphenyl)methylideneamino]benzamide
CID 135406892
N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]pyridine-4-carboxamide
CID 136800738
4-bromo-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide
CID 5169627
3-hydroxy-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 136852030
3,5-dihydroxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135403084
2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]benzoate
CID 3689306
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
N-[(E)-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide
CID 135421017
3-hydroxy-N-[(3-hydroxy-1-oxo-2H-isoquinolin-4-yl)methylideneamino]benzamide
CID 137098407
N-[[1-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 5131295
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-methylbenzoate
CID 126401641

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The IUPAC name of N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide (CID 136774436) is N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is Cc1ccc2[nH]c(=O)c(/C=N\NC(=O)c3ccccc3)c(O)c2c1.
What is the InChIKey of N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
The InChIKey is JRBBXIJONXOZOV-GRSHGNNSSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11-7-8-15-13(9-11)16(22)14(18(24)20-15)10-19-21-17(23)12-5-3-2-4-6-12/h2-10H,1H3,(H,21,23)(H2,20,22,24)/b19-10-.
What are the key properties of N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide?
N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide has a molecular weight of 321.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]benzamide is sourced from PubChem (CID 136774436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).