N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide

C24H17Cl2N3O — CID 3806436

IUPACN-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H17Cl2N3O/c1-15(17-11-12-20(25)21(26)13-17)28-29-24(30)19-14-23(16-7-3-2-4-8-16)27-22-10-6-5-9-18(19)22/h2-14H,1H3,(H,29,30)
InChIKeyOBPKTLIAOZHVSA-UHFFFAOYSA-N
MW434.33 g/mol
LogP6.36
Rot. Bonds4

About N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide

N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 3806436) has the molecular formula C24H17Cl2N3O and a molecular weight of 434.33 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID3806436
Molecular FormulaC24H17Cl2N3O
Molecular Weight434.33 g/mol
Exact Mass433.07
IUPAC NameN-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H17Cl2N3O/c1-15(17-11-12-20(25)21(26)13-17)28-29-24(30)19-14-23(16-7-3-2-4-8-16)27-22-10-6-5-9-18(19)22/h2-14H,1H3,(H,29,30)
InChIKeyOBPKTLIAOZHVSA-UHFFFAOYSA-N
XLogP6.36
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.33
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-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

N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
2-phenyl-N-[1-(4-phenylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 3752966
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6063803
N-[1-[4-(cyclobutanecarbonylamino)phenyl]ethylideneamino]-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5045590
N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 4093651
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 6166144
2-(4-bromophenyl)-N-[(E)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylideneamino]quinoline-4-carboxamide
CID 41254108

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide (CID 3806436) is N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide is CC(=NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is OBPKTLIAOZHVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N3O/c1-15(17-11-12-20(25)21(26)13-17)28-29-24(30)19-14-23(16-7-3-2-4-8-16)27-22-10-6-5-9-18(19)22/h2-14H,1H3,(H,29,30).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 434.33 g/mol, XLogP of 6.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 3806436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).