N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide

C24H18BrN3O2 — CID 3438844

IUPACN-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide
SMILESO=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1ccc2ccccc2n1
InChIInChI=1S/C24H18BrN3O2/c25-20-9-5-6-17(14-20)16-30-23-11-4-2-8-19(23)15-26-28-24(29)22-13-12-18-7-1-3-10-21(18)27-22/h1-15H,16H2,(H,28,29)
InChIKeyCVLUBCSPISVOON-UHFFFAOYSA-N
MW460.33 g/mol
LogP5.34
Rot. Bonds6

About N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide

N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide (PubChem CID 3438844) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide
PubChem CID3438844
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC NameN-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide
SMILESO=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1ccc2ccccc2n1
InChIInChI=1S/C24H18BrN3O2/c25-20-9-5-6-17(14-20)16-30-23-11-4-2-8-19(23)15-26-28-24(29)22-13-12-18-7-1-3-10-21(18)27-22/h1-15H,16H2,(H,28,29)
InChIKeyCVLUBCSPISVOON-UHFFFAOYSA-N
XLogP5.34
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.34
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'}

Analyze N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide 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

N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 6262708
N-[(5-bromo-2-ethoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 1237546
N-[(Z)-(2-octoxyphenyl)methylideneamino]quinoline-2-carboxamide
CID 9499718
5-bromo-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5213749
2-(benzotriazol-1-yl)-N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 6083500
2-(4-bromophenoxy)-N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]propanamide
CID 3684614
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
N-[(Z)-[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]-2-(tetrazol-1-yl)acetamide
CID 6030285
4-[(3-bromophenyl)methoxy]-N-[(2-bromophenyl)methylideneamino]-3-methoxybenzamide
CID 3400456
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471
4-[(3-bromophenyl)methoxy]-N-[(E)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 135601126
N-[(E)-anthracen-9-ylmethylideneamino]-2-[(3-bromophenyl)methoxy]benzamide
CID 83290847

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide?
The IUPAC name of N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide (CID 3438844) is N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide.
What is the SMILES notation for N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide?
The canonical SMILES for N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide is O=C(NN=Cc1ccccc1OCc1cccc(Br)c1)c1ccc2ccccc2n1.
What is the InChIKey of N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide?
The InChIKey is CVLUBCSPISVOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c25-20-9-5-6-17(14-20)16-30-23-11-4-2-8-19(23)15-26-28-24(29)22-13-12-18-7-1-3-10-21(18)27-22/h1-15H,16H2,(H,28,29).
What are the key properties of N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide?
N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide has a molecular weight of 460.33 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3-bromophenyl)methoxy]phenyl]methylideneamino]quinoline-2-carboxamide is sourced from PubChem (CID 3438844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).