N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide

C35H25N3O2 — CID 2348277

IUPACN-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESO=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C35H25N3O2/c39-35(38-36-24-25-10-9-15-30(22-25)40-29-13-5-2-6-14-29)32-23-34(37-33-17-8-7-16-31(32)33)28-20-18-27(19-21-28)26-11-3-1-4-12-26/h1-24H,(H,38,39)
InChIKeyGKULCLQHEHBUMS-UHFFFAOYSA-N
MW519.60 g/mol
LogP8.12
Rot. Bonds7

About N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide

N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide (PubChem CID 2348277) has the molecular formula C35H25N3O2 and a molecular weight of 519.60 g/mol. Its IUPAC name is N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
PubChem CID2348277
Molecular FormulaC35H25N3O2
Molecular Weight519.60 g/mol
Exact Mass519.19
IUPAC NameN-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
SMILESO=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12
InChIInChI=1S/C35H25N3O2/c39-35(38-36-24-25-10-9-15-30(22-25)40-29-13-5-2-6-14-29)32-23-34(37-33-17-8-7-16-31(32)33)28-20-18-27(19-21-28)26-11-3-1-4-12-26/h1-24H,(H,38,39)
InChIKeyGKULCLQHEHBUMS-UHFFFAOYSA-N
XLogP8.12
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 58.12
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-[(3-methoxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 4504168
N-[(E)-(3-phenoxyphenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 6901687
N-[(E)-(3-methoxyphenyl)methylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 18275081
N-[(E)-(3-chlorophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 6884313
N-[(Z)-[3-[(2-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126052411
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
CID 135544851
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5431086
2-(4-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]quinoline-4-carboxamide
CID 25237207
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
2-phenyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 126042516
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078588

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide (CID 2348277) is N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide is O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12.
What is the InChIKey of N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide?
The InChIKey is GKULCLQHEHBUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O2/c39-35(38-36-24-25-10-9-15-30(22-25)40-29-13-5-2-6-14-29)32-23-34(37-33-17-8-7-16-31(32)33)28-20-18-27(19-21-28)26-11-3-1-4-12-26/h1-24H,(H,38,39).
What are the key properties of N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide?
N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide has a molecular weight of 519.60 g/mol, XLogP of 8.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2348277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).