N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

C24H19N3O2 — CID 4504168

IUPACN-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCOc1cccc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C24H19N3O2/c1-29-19-11-7-8-17(14-19)16-25-27-24(28)21-15-23(18-9-3-2-4-10-18)26-22-13-6-5-12-20(21)22/h2-16H,1H3,(H,27,28)
InChIKeyQCHWGOBCSFJCLR-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.67
Rot. Bonds5

About N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide

N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 4504168) has the molecular formula C24H19N3O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID4504168
Molecular FormulaC24H19N3O2
Molecular Weight381.44 g/mol
Exact Mass381.15
IUPAC NameN-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCOc1cccc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1
InChIInChI=1S/C24H19N3O2/c1-29-19-11-7-8-17(14-19)16-25-27-24(28)21-15-23(18-9-3-2-4-10-18)26-22-13-6-5-12-20(21)22/h2-16H,1H3,(H,27,28)
InChIKeyQCHWGOBCSFJCLR-UHFFFAOYSA-N
XLogP4.67
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.67
H-Bond Donors ≤ 51
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

N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 2348277
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
N-[(E)-(3-phenoxyphenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 6901687
N-(cinnamylideneamino)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5179044
N-[(E)-(4-methoxy-2-methylphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053693
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
2-(4-bromophenyl)-N-[(Z)-(4-methoxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 6009364
N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 1125272
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5431086
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126052411

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide (CID 4504168) is N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is COc1cccc(C=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is QCHWGOBCSFJCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O2/c1-29-19-11-7-8-17(14-19)16-25-27-24(28)21-15-23(18-9-3-2-4-10-18)26-22-13-6-5-12-20(21)22/h2-16H,1H3,(H,27,28).
What are the key properties of N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide?
N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4504168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).