N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide

C32H35N3O3 — CID 3994710

IUPACN-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
SMILESCCCCCCCCOc1ccc(C=NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C32H35N3O3/c1-2-3-4-5-6-7-22-37-29-19-15-25(16-20-29)23-34-35-32(36)28-17-13-26(14-18-28)24-38-30-12-8-10-27-11-9-21-33-31(27)30/h8-21,23H,2-7,22,24H2,1H3,(H,35,36)
InChIKeyBVBJWSKALKQAEB-UHFFFAOYSA-N
MW509.65 g/mol
LogP7.32
Rot. Bonds14

About N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide

N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide (PubChem CID 3994710) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide.

Molecular Properties

Compound NameN-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
PubChem CID3994710
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC NameN-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
SMILESCCCCCCCCOc1ccc(C=NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1
InChIInChI=1S/C32H35N3O3/c1-2-3-4-5-6-7-22-37-29-19-15-25(16-20-29)23-34-35-32(36)28-17-13-26(14-18-28)24-38-30-12-8-10-27-11-9-21-33-31(27)30/h8-21,23H,2-7,22,24H2,1H3,(H,35,36)
InChIKeyBVBJWSKALKQAEB-UHFFFAOYSA-N
XLogP7.32
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(4-ethoxyphenoxy)methyl]-N-[(4-hexoxyphenyl)methylideneamino]benzamide
CID 4541932
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 6072663
N-[(2,3-dihydroxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide
CID 2368203
N-[(4-bromophenyl)methylideneamino]-4-hexoxybenzamide
CID 4930486
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-4-propoxybenzamide
CID 92658826
4-[(2,2-dioxo-2lambda6-thia-3-azatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaen-3-yl)methyl]-N-[(E)-(4-hexoxyphenyl)methylideneamino]benzamide
CID 6901160
4-propoxy-N-[(E)-(4-propoxyphenyl)methylideneamino]benzamide
CID 133169717
4-[(4-chlorophenyl)methoxy]-N-[(E)-(2-hexoxyphenyl)methylideneamino]benzamide
CID 6321755
3-fluoro-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3886255
4-butoxy-N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzamide
CID 45054795
N-[[4-methoxy-3-(quinolin-8-yloxymethyl)phenyl]methylideneamino]-4-phenylbenzamide
CID 5128640
2-[(4-fluorobenzoyl)amino]-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3671539

Frequently Asked Questions

What is the IUPAC name of N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
The IUPAC name of N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide (CID 3994710) is N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide.
What is the SMILES notation for N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
The canonical SMILES for N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is CCCCCCCCOc1ccc(C=NNC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1.
What is the InChIKey of N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
The InChIKey is BVBJWSKALKQAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-2-3-4-5-6-7-22-37-29-19-15-25(16-20-29)23-34-35-32(36)28-17-13-26(14-18-28)24-38-30-12-8-10-27-11-9-21-33-31(27)30/h8-21,23H,2-7,22,24H2,1H3,(H,35,36).
What are the key properties of N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide?
N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide has a molecular weight of 509.65 g/mol, XLogP of 7.32, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-octoxyphenyl)methylideneamino]-4-(quinolin-8-yloxymethyl)benzamide is sourced from PubChem (CID 3994710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).