[[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate

C24H19N3O2 — CID 2296835

IUPAC[[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate
SMILESCc1cccc(C(N)=NOC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C24H19N3O2/c1-16-8-7-11-18(14-16)23(25)27-29-24(28)20-15-22(17-9-3-2-4-10-17)26-21-13-6-5-12-19(20)21/h2-15H,1H3,(H2,25,27)
InChIKeyKZFBAGCRYAFBQG-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.69
Rot. Bonds4

About [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate

[[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate (PubChem CID 2296835) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate.

Molecular Properties

Compound Name[[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate
PubChem CID2296835
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC Name[[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate
SMILESCc1cccc(C(N)=NOC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C24H19N3O2/c1-16-8-7-11-18(14-16)23(25)27-29-24(28)20-15-22(17-9-3-2-4-10-17)26-21-13-6-5-12-19(20)21/h2-15H,1H3,(H2,25,27)
InChIKeyKZFBAGCRYAFBQG-UHFFFAOYSA-N
XLogP4.69
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-[amino-(3-methylphenyl)methylidene]amino] benzoate
CID 5348857
[[amino-(3-methylphenyl)methylidene]amino] 2-bromobenzoate
CID 2890192
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
(2,6-dimethoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 19101104
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-phenylquinoline-4-carboxylate
CID 7866906
ethyl 6-hydroxy-2-phenylquinoline-4-carboxylate
CID 67204819
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
(4-acetylphenyl) 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1128701
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786

Frequently Asked Questions

What is the IUPAC name of [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate?
The IUPAC name of [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate (CID 2296835) is [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate.
What is the SMILES notation for [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate?
The canonical SMILES for [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate is Cc1cccc(C(N)=NOC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate?
The InChIKey is KZFBAGCRYAFBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-16-8-7-11-18(14-16)23(25)27-29-24(28)20-15-22(17-9-3-2-4-10-17)26-21-13-6-5-12-19(20)21/h2-15H,1H3,(H2,25,27).
What are the key properties of [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate?
[[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(3-methylphenyl)methylidene]amino] 2-phenylquinoline-4-carboxylate is sourced from PubChem (CID 2296835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).