N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide

C25H19Cl2N3O — CID 6063803

IUPACN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2N3O/c1-15-7-9-17(10-8-15)24-14-21(20-5-3-4-6-23(20)28-24)25(31)30-29-16(2)19-12-11-18(26)13-22(19)27/h3-14H,1-2H3,(H,30,31)/b29-16-
InChIKeyUIUQJSFEYGVHAJ-MWLSYYOVSA-N
MW448.35 g/mol
LogP6.67
Rot. Bonds4

About N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide

N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide (PubChem CID 6063803) has the molecular formula C25H19Cl2N3O and a molecular weight of 448.35 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
PubChem CID6063803
Molecular FormulaC25H19Cl2N3O
Molecular Weight448.35 g/mol
Exact Mass447.09
IUPAC NameN-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl2N3O/c1-15-7-9-17(10-8-15)24-14-21(20-5-3-4-6-23(20)28-24)25(31)30-29-16(2)19-12-11-18(26)13-22(19)27/h3-14H,1-2H3,(H,30,31)/b29-16-
InChIKeyUIUQJSFEYGVHAJ-MWLSYYOVSA-N
XLogP6.67
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.35
LogP ≤ 56.67
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'}

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Related Compounds

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
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-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
2-(4-tert-butylphenyl)-N-[1-(5-chlorothiophen-2-yl)ethylideneamino]quinoline-4-carboxamide
CID 4205609
2-(4-chlorophenyl)-N-[1-[4-(furan-2-carbonylamino)phenyl]ethylideneamino]quinoline-4-carboxamide
CID 5198522
2-(4-fluorophenyl)-N-(1-pyridin-4-ylethylideneamino)quinoline-4-carboxamide
CID 5235902
2-(4-fluorophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 6309603
N-[(Z)-1-(2,5-dihydroxyphenyl)ethylideneamino]-2-pyridin-4-ylquinoline-4-carboxamide
CID 135907325

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide (CID 6063803) is N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide?
The InChIKey is UIUQJSFEYGVHAJ-MWLSYYOVSA-N. The full InChI is InChI=1S/C25H19Cl2N3O/c1-15-7-9-17(10-8-15)24-14-21(20-5-3-4-6-23(20)28-24)25(31)30-29-16(2)19-12-11-18(26)13-22(19)27/h3-14H,1-2H3,(H,30,31)/b29-16-.
What are the key properties of N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide?
N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide has a molecular weight of 448.35 g/mol, XLogP of 6.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dichlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 6063803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).