N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide

C25H19ClN4O2 — CID 42996080

IUPACN-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C25H19ClN4O2/c1-16(31)28-18-12-10-17(11-13-18)15-27-30-25(32)21-14-24(20-7-2-4-8-22(20)26)29-23-9-5-3-6-19(21)23/h2-15H,1H3,(H,28,31)(H,30,32)/b27-15+
InChIKeyUIXNFOWVSKKWRL-JFLMPSFJSA-N
MW442.91 g/mol
LogP5.28
Rot. Bonds5

About N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide

N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide (PubChem CID 42996080) has the molecular formula C25H19ClN4O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
PubChem CID42996080
Molecular FormulaC25H19ClN4O2
Molecular Weight442.91 g/mol
Exact Mass442.12
IUPAC NameN-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
SMILESCC(=O)Nc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C25H19ClN4O2/c1-16(31)28-18-12-10-17(11-13-18)15-27-30-25(32)21-14-24(20-7-2-4-8-22(20)26)29-23-9-5-3-6-19(21)23/h2-15H,1H3,(H,28,31)(H,30,32)/b27-15+
InChIKeyUIXNFOWVSKKWRL-JFLMPSFJSA-N
XLogP5.28
TPSA83.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.91
LogP ≤ 55.28
H-Bond Donors ≤ 52
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'}

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Related Compounds

2-(2,4-dichlorophenyl)-N-[(Z)-(4-hydroxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 135781982
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42991259
2-(4-chlorophenyl)-N-[(Z)-(4-chlorophenyl)methylideneamino]quinoline-4-carboxamide
CID 6018780
N-[(Z)-butan-2-ylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 7933434
2-(2-chlorophenyl)-N-(pentan-3-ylideneamino)quinoline-4-carboxamide
CID 16553720
2-(2-hydroxyphenyl)-N-[(4-propan-2-yloxyphenyl)methylideneamino]quinoline-4-carboxamide
CID 4505042
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
N-[(4-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 5161024
N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 6873349
N-[(E)-[4-[(2R)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126048018
N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 16959593
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 6000209

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide (CID 42996080) is N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide is CC(=O)Nc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1.
What is the InChIKey of N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is UIXNFOWVSKKWRL-JFLMPSFJSA-N. The full InChI is InChI=1S/C25H19ClN4O2/c1-16(31)28-18-12-10-17(11-13-18)15-27-30-25(32)21-14-24(20-7-2-4-8-22(20)26)29-23-9-5-3-6-19(21)23/h2-15H,1H3,(H,28,31)(H,30,32)/b27-15+.
What are the key properties of N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide?
N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 442.91 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-acetamidophenyl)methylideneamino]-2-(2-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 42996080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).