N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

C24H20N4O2 — CID 4694326

IUPACN-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1cccc(C(C)=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C24H20N4O2/c1-16(17-7-5-9-19(13-17)30-2)27-28-24(29)21-14-23(18-8-6-12-25-15-18)26-22-11-4-3-10-20(21)22/h3-15H,1-2H3,(H,28,29)
InChIKeyOFFHDOIVNPLDCL-UHFFFAOYSA-N
MW396.45 g/mol
LogP4.46
Rot. Bonds5

About N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide

N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (PubChem CID 4694326) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
PubChem CID4694326
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
SMILESCOc1cccc(C(C)=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1
InChIInChI=1S/C24H20N4O2/c1-16(17-7-5-9-19(13-17)30-2)27-28-24(29)21-14-23(18-8-6-12-25-15-18)26-22-11-4-3-10-20(21)22/h3-15H,1-2H3,(H,28,29)
InChIKeyOFFHDOIVNPLDCL-UHFFFAOYSA-N
XLogP4.46
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.46
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'}

Analyze N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-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

2-(2,4-dimethoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 26871461
2-(4-ethoxyphenyl)-N-[(E)-1-pyridin-3-ylethylideneamino]quinoline-4-carboxamide
CID 25237307
N-[(Z)-butan-2-ylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 9078554
N-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4306797
N-[1-(furan-2-yl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4687807
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[1-(3-methoxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 4227241
N-[(E)-1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135722852
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-methyl-2-pyridin-3-ylquinoline-4-carboxamide
CID 53007972
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide (CID 4694326) is N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is COc1cccc(C(C)=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
The InChIKey is OFFHDOIVNPLDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-16(17-7-5-9-19(13-17)30-2)27-28-24(29)21-14-23(18-8-6-12-25-15-18)26-22-11-4-3-10-20(21)22/h3-15H,1-2H3,(H,28,29).
What are the key properties of N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide?
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide is sourced from PubChem (CID 4694326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).