2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide

C25H21N3O — CID 6092876

IUPAC2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H21N3O/c1-17-12-14-20(15-13-17)24-16-22(21-10-6-7-11-23(21)26-24)25(29)28-27-18(2)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,28,29)/b27-18-
InChIKeyRHKORTPIMLFDRG-IMRQLAEWSA-N
MW379.46 g/mol
LogP5.36
Rot. Bonds4

About 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide

2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide (PubChem CID 6092876) has the molecular formula C25H21N3O and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
PubChem CID6092876
Molecular FormulaC25H21N3O
Molecular Weight379.46 g/mol
Exact Mass379.17
IUPAC Name2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
SMILESC/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C25H21N3O/c1-17-12-14-20(15-13-17)24-16-22(21-10-6-7-11-23(21)26-24)25(29)28-27-18(2)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,28,29)/b27-18-
InChIKeyRHKORTPIMLFDRG-IMRQLAEWSA-N
XLogP5.36
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.46
LogP ≤ 55.36
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'}

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Related Compounds

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
N-[1-(4-chlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3563023
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
2-methyl-N-(1-phenylethylideneamino)quinoline-4-carboxamide
CID 771316
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
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-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 6166144
2-pyridin-2-yl-N-[(Z)-1-pyridin-4-ylethylideneamino]quinoline-4-carboxamide
CID 8007643
N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 4093651

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide (CID 6092876) is 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide is C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide?
The InChIKey is RHKORTPIMLFDRG-IMRQLAEWSA-N. The full InChI is InChI=1S/C25H21N3O/c1-17-12-14-20(15-13-17)24-16-22(21-10-6-7-11-23(21)26-24)25(29)28-27-18(2)19-8-4-3-5-9-19/h3-16H,1-2H3,(H,28,29)/b27-18-.
What are the key properties of 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide?
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide is sourced from PubChem (CID 6092876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).