N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide

C31H25N3O3 — CID 5128640

IUPACN-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1COc1cccc2cccnc12
InChIInChI=1S/C31H25N3O3/c1-36-28-17-12-22(19-27(28)21-37-29-11-5-9-25-10-6-18-32-30(25)29)20-33-34-31(35)26-15-13-24(14-16-26)23-7-3-2-4-8-23/h2-20H,21H2,1H3,(H,34,35)
InChIKeyMMQBKHFXEVQNNH-UHFFFAOYSA-N
MW487.56 g/mol
LogP6.25
Rot. Bonds8

About N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide

N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide (PubChem CID 5128640) has the molecular formula C31H25N3O3 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide
PubChem CID5128640
Molecular FormulaC31H25N3O3
Molecular Weight487.56 g/mol
Exact Mass487.19
IUPAC NameN-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide
SMILESCOc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1COc1cccc2cccnc12
InChIInChI=1S/C31H25N3O3/c1-36-28-17-12-22(19-27(28)21-37-29-11-5-9-25-10-6-18-32-30(25)29)20-33-34-31(35)26-15-13-24(14-16-26)23-7-3-2-4-8-23/h2-20H,21H2,1H3,(H,34,35)
InChIKeyMMQBKHFXEVQNNH-UHFFFAOYSA-N
XLogP6.25
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-methoxy-N-[(Z)-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]methylideneamino]benzamide
CID 28776247
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 5064739
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 6898634
4-fluoro-N-[(Z)-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]benzenesulfonamide
CID 5431510
(E)-1-(4-methoxyphenyl)-3-[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]prop-2-en-1-one
CID 19558622
N-[(Z)-[4-methoxy-3-(phenoxymethyl)phenyl]methylideneamino]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 6167663
N-[(E)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126022963
[2-methoxy-4-[[(4-phenylbenzoyl)hydrazinylidene]methyl]phenyl] acetate
CID 1008575
N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 3994710
N-[(E)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 126330028
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-quinolin-8-yloxyacetamide
CID 137063536
(2R)-2-[2-methoxy-4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 41271108

Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide?
The IUPAC name of N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide (CID 5128640) is N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide.
What is the SMILES notation for N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide?
The canonical SMILES for N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide is COc1ccc(C=NNC(=O)c2ccc(-c3ccccc3)cc2)cc1COc1cccc2cccnc12.
What is the InChIKey of N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide?
The InChIKey is MMQBKHFXEVQNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O3/c1-36-28-17-12-22(19-27(28)21-37-29-11-5-9-25-10-6-18-32-30(25)29)20-33-34-31(35)26-15-13-24(14-16-26)23-7-3-2-4-8-23/h2-20H,21H2,1H3,(H,34,35).
What are the key properties of N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide?
N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide has a molecular weight of 487.56 g/mol, XLogP of 6.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide is sourced from PubChem (CID 5128640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).