N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide

C30H31N3O — CID 4093651

IUPACN-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCCCCCCc1ccc(C(C)=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C30H31N3O/c1-3-4-5-7-12-23-17-19-24(20-18-23)22(2)32-33-30(34)27-21-29(25-13-8-6-9-14-25)31-28-16-11-10-15-26(27)28/h6,8-11,13-21H,3-5,7,12H2,1-2H3,(H,33,34)
InChIKeyWPLPDKNKVJAUEH-UHFFFAOYSA-N
MW449.60 g/mol
LogP7.18
Rot. Bonds9

About N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide

N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide (PubChem CID 4093651) has the molecular formula C30H31N3O and a molecular weight of 449.60 g/mol. Its IUPAC name is N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
PubChem CID4093651
Molecular FormulaC30H31N3O
Molecular Weight449.60 g/mol
Exact Mass449.25
IUPAC NameN-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
SMILESCCCCCCc1ccc(C(C)=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1
InChIInChI=1S/C30H31N3O/c1-3-4-5-7-12-23-17-19-24(20-18-23)22(2)32-33-30(34)27-21-29(25-13-8-6-9-14-25)31-28-16-11-10-15-26(27)28/h6,8-11,13-21H,3-5,7,12H2,1-2H3,(H,33,34)
InChIKeyWPLPDKNKVJAUEH-UHFFFAOYSA-N
XLogP7.18
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.60
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-phenylquinoline-4-carboxamide
CID 3563023
2-(4-methylphenyl)-N-[(Z)-1-phenylethylideneamino]quinoline-4-carboxamide
CID 6092876
N-[1-(3,4-dichlorophenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide
CID 3806436
N-[1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 5006267
2-phenyl-N-(propan-2-ylideneamino)quinoline-4-carboxamide
CID 3731183
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
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-cyclopropyl-N-[1-(4-ethylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 1226462
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide (CID 4093651) is N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide is CCCCCCc1ccc(C(C)=NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1.
What is the InChIKey of N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
The InChIKey is WPLPDKNKVJAUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O/c1-3-4-5-7-12-23-17-19-24(20-18-23)22(2)32-33-30(34)27-21-29(25-13-8-6-9-14-25)31-28-16-11-10-15-26(27)28/h6,8-11,13-21H,3-5,7,12H2,1-2H3,(H,33,34).
What are the key properties of N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide?
N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 7.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hexylphenyl)ethylideneamino]-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4093651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).